(2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide

C21H25N3O2 — CID 25480897

IUPAC(2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-23(2)21(26)20(17-7-4-3-5-8-17)22-15-16-10-12-18(13-11-16)24-14-6-9-19(24)25/h3-5,7-8,10-13,20,22H,6,9,14-15H2,1-2H3/t20-/m0/s1
InChIKeyVDRCTXZODSNGOO-FQEVSTJZSA-N
MW351.45 g/mol
LogP2.73
Rot. Bonds6

About (2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide

(2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide (PubChem CID 25480897) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide
PubChem CID25480897
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-23(2)21(26)20(17-7-4-3-5-8-17)22-15-16-10-12-18(13-11-16)24-14-6-9-19(24)25/h3-5,7-8,10-13,20,22H,6,9,14-15H2,1-2H3/t20-/m0/s1
InChIKeyVDRCTXZODSNGOO-FQEVSTJZSA-N
XLogP2.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 119694486
N-(2,2-diphenylethyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26313258
1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 102867991
N-[2-(dimethylamino)-2-phenylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4881454
2-[3-(aminomethyl)anilino]-N-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337429
2-(2-methylphenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589035
2-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-phenylpropyl)guanidine
CID 111342361
1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 43203969
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide
CID 51188170
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27666071

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide (CID 25480897) is (2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide is CN(C)C(=O)[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1.
What is the InChIKey of (2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide?
The InChIKey is VDRCTXZODSNGOO-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23(2)21(26)20(17-7-4-3-5-8-17)22-15-16-10-12-18(13-11-16)24-14-6-9-19(24)25/h3-5,7-8,10-13,20,22H,6,9,14-15H2,1-2H3/t20-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide?
(2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide has a molecular weight of 351.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide is sourced from PubChem (CID 25480897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).