ethyl 2-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetate

Formula:C24H28N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetate is a drug-like molecule.

MolName	ethyl 2-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetate
MolecularFormula	C24H28N2O5
Smiles	CCCCOc(cc1)ccc1C(N/C(/C(NCC(OCC)=O)=O)=C/c1ccccc1)=O
InChI	InChI=1S/C24H28N2O5/c1-3-5-15-31-20-13-11-19(12-14-20)23(28)26-21(16-18-9-7-6-8-10-18)24(29)25-17-22(27)30-4-2/h6-14,16H,3-5,15,17H2,1-2H3,(H,25,29)(H,26,28)
InChIK	UHKOBMZLWYLYES-UHFFFAOYSA-N
TotalMolweight	424.495
Molweight	424.495
MonoisotopicMass	424.199823
CLogP	3.9244
CLogS	-4.427
H Acceptors	7
H Donors	2
TotalSurfaceArea	347.22
Relative PSA	0.23628
PolarSurfaceArea	93.73
Druglikeness	-6.7425
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	12
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amides	2
StereoCon

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1 - ethyl 2-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetate | 2 - ethyl 2-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetate

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