(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide

C26H27N3O3 — CID 41104777

IUPAC(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESC[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H27N3O3/c1-19(27-21-9-13-23(14-10-21)29-17-5-8-25(29)30)26(31)28-22-11-15-24(16-12-22)32-18-20-6-3-2-4-7-20/h2-4,6-7,9-16,19,27H,5,8,17-18H2,1H3,(H,28,31)/t19-/m0/s1
InChIKeyCTUSTLXBDKPERL-IBGZPJMESA-N
MW429.52 g/mol
LogP4.83
Rot. Bonds8

About (2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide

(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 41104777) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID41104777
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide
SMILESC[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H27N3O3/c1-19(27-21-9-13-23(14-10-21)29-17-5-8-25(29)30)26(31)28-22-11-15-24(16-12-22)32-18-20-6-3-2-4-7-20/h2-4,6-7,9-16,19,27H,5,8,17-18H2,1H3,(H,28,31)/t19-/m0/s1
InChIKeyCTUSTLXBDKPERL-IBGZPJMESA-N
XLogP4.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)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

N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17494587
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967422
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
CID 154774074
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498
2-(1,3-benzodioxol-5-ylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 71903508
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25354796
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
(2R)-N-(2-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967638

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide (CID 41104777) is (2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide is C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is CTUSTLXBDKPERL-IBGZPJMESA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19(27-21-9-13-23(14-10-21)29-17-5-8-25(29)30)26(31)28-22-11-15-24(16-12-22)32-18-20-6-3-2-4-7-20/h2-4,6-7,9-16,19,27H,5,8,17-18H2,1H3,(H,28,31)/t19-/m0/s1.
What are the key properties of (2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide?
(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 429.52 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 41104777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).