C22H25N3O4 | Cheminformatics

(2R)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide

Formula:C22H25N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide is a drug-like molecule.

MolName(2R)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
MolecularFormulaC22H25N3O4
SmilesCCOc(cccc1)c1NC([C@@H](CCC1)N1C(Nc1cc(C(C)=O)ccc1)=O)=O
InChIInChI=1S/C22H25N3O4/c1-3-29-20-12-5-4-10-18(20)24-21(27)19-11-7-13-25(19)22(28)23-17-9-6-8-16(14-17)15(2)26/h4-6,8-10,12,14,19H,3,7,11,13H2,1-2H3,(H,23,28)(H,24,27)/t19-/m1/s1
InChIKVEWYZYXRQHNOOW-LJQANCHMSA-N
TotalMolweight395.458
Molweight395.458
MonoisotopicMass395.184507
CLogP3.0681
CLogS-4.815
H Acceptors7
H Donors2
TotalSurfaceArea308.05
Relative PSA0.24538
PolarSurfaceArea87.74
Druglikeness5.3157
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.55172
Fragments1
Non HAtoms29
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Amides3
StereoConthis enantiomer

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