(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide

C20H23N3O3 — CID 41397114

IUPAC(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
SMILESCOc1cc(N[C@@H](C)C(=O)Nc2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C20H23N3O3/c1-14(20(25)22-15-7-4-3-5-8-15)21-16-10-11-17(18(13-16)26-2)23-12-6-9-19(23)24/h3-5,7-8,10-11,13-14,21H,6,9,12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyZSSSXZXKOYZZQB-AWEZNQCLSA-N
MW353.42 g/mol
LogP3.26
Rot. Bonds6

About (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide

(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide (PubChem CID 41397114) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
PubChem CID41397114
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
SMILESCOc1cc(N[C@@H](C)C(=O)Nc2ccccc2)ccc1N1CCCC1=O
InChIInChI=1S/C20H23N3O3/c1-14(20(25)22-15-7-4-3-5-8-15)21-16-10-11-17(18(13-16)26-2)23-12-6-9-19(23)24/h3-5,7-8,10-11,13-14,21H,6,9,12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyZSSSXZXKOYZZQB-AWEZNQCLSA-N
XLogP3.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
(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-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 41397393
2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide
CID 42935065
N-(4-ethylphenyl)-2-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 55684188
3-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119699391
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 41397253
(2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 41397353
N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493763
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
CID 119699423
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17494587

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide (CID 41397114) is (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide is COc1cc(N[C@@H](C)C(=O)Nc2ccccc2)ccc1N1CCCC1=O.
What is the InChIKey of (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide?
The InChIKey is ZSSSXZXKOYZZQB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(20(25)22-15-7-4-3-5-8-15)21-16-10-11-17(18(13-16)26-2)23-12-6-9-19(23)24/h3-5,7-8,10-11,13-14,21H,6,9,12H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide?
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide has a molecular weight of 353.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide is sourced from PubChem (CID 41397114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).