2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide

C24H31N3O3 — CID 42935065

IUPAC2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)Nc1ccc(N2CCCC2=O)c(OC)c1)c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-4-9-20(18-10-6-5-7-11-18)26-24(29)17(2)25-19-13-14-21(22(16-19)30-3)27-15-8-12-23(27)28/h5-7,10-11,13-14,16-17,20,25H,4,8-9,12,15H2,1-3H3,(H,26,29)
InChIKeyGJRJVNUTCGLJNX-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.28
Rot. Bonds9

About 2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide

2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide (PubChem CID 42935065) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide
PubChem CID42935065
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)Nc1ccc(N2CCCC2=O)c(OC)c1)c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-4-9-20(18-10-6-5-7-11-18)26-24(29)17(2)25-19-13-14-21(22(16-19)30-3)27-15-8-12-23(27)28/h5-7,10-11,13-14,16-17,20,25H,4,8-9,12,15H2,1-3H3,(H,26,29)
InChIKeyGJRJVNUTCGLJNX-UHFFFAOYSA-N
XLogP4.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide 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

(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide
CID 41397283
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 41397253
3-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119699391
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 41397393
[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8729093
[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8729105
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
CID 119699423
N-(4-ethylphenyl)-2-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 55684188
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide?
The IUPAC name of 2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide (CID 42935065) is 2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide.
What is the SMILES notation for 2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide?
The canonical SMILES for 2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide is CCCC(NC(=O)C(C)Nc1ccc(N2CCCC2=O)c(OC)c1)c1ccccc1.
What is the InChIKey of 2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide?
The InChIKey is GJRJVNUTCGLJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-9-20(18-10-6-5-7-11-18)26-24(29)17(2)25-19-13-14-21(22(16-19)30-3)27-15-8-12-23(27)28/h5-7,10-11,13-14,16-17,20,25H,4,8-9,12,15H2,1-3H3,(H,26,29).
What are the key properties of 2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide?
2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide has a molecular weight of 409.53 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide is sourced from PubChem (CID 42935065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).