4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide

C20H22N4O3 — CID 8967594

IUPAC4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
SMILESC[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H22N4O3/c1-13(20(27)23-16-6-4-14(5-7-16)19(21)26)22-15-8-10-17(11-9-15)24-12-2-3-18(24)25/h4-11,13,22H,2-3,12H2,1H3,(H2,21,26)(H,23,27)/t13-/m1/s1
InChIKeyDGJXGZGDLJIDLY-CYBMUJFWSA-N
MW366.42 g/mol
LogP2.35
Rot. Bonds6

About 4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide

4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide (PubChem CID 8967594) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
PubChem CID8967594
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
SMILESC[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H22N4O3/c1-13(20(27)23-16-6-4-14(5-7-16)19(21)26)22-15-8-10-17(11-9-15)24-12-2-3-18(24)25/h4-11,13,22H,2-3,12H2,1H3,(H2,21,26)(H,23,27)/t13-/m1/s1
InChIKeyDGJXGZGDLJIDLY-CYBMUJFWSA-N
XLogP2.35
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17494587
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498
(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide
CID 41104777
(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25376489
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61155138
2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 71899235
2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55434399
(2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967638

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide (CID 8967594) is 4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide is C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide?
The InChIKey is DGJXGZGDLJIDLY-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(20(27)23-16-6-4-14(5-7-16)19(21)26)22-15-8-10-17(11-9-15)24-12-2-3-18(24)25/h4-11,13,22H,2-3,12H2,1H3,(H2,21,26)(H,23,27)/t13-/m1/s1.
What are the key properties of 4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide?
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide has a molecular weight of 366.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide is sourced from PubChem (CID 8967594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).