N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide

C20H22N2O2 — CID 51188170

IUPACN-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(C)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H22N2O2/c1-15(16-7-4-3-5-8-16)21(2)20(24)17-10-12-18(13-11-17)22-14-6-9-19(22)23/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3
InChIKeyBQCRXRGEYAWGAJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.65
Rot. Bonds4

About N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide (PubChem CID 51188170) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide
PubChem CID51188170
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(C)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H22N2O2/c1-15(16-7-4-3-5-8-16)21(2)20(24)17-10-12-18(13-11-17)22-14-6-9-19(22)23/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3
InChIKeyBQCRXRGEYAWGAJ-UHFFFAOYSA-N
XLogP3.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471079
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46452312
N-[2-(dimethylamino)-2-phenylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4881454
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46513080
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
N-benzyl-N-ethyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110295271
N-methoxy-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 134040883
[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952821
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(dimethylamino)-2-phenylacetate
CID 75405912
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide?
The IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide (CID 51188170) is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide is CC(c1ccccc1)N(C)C(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide?
The InChIKey is BQCRXRGEYAWGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(16-7-4-3-5-8-16)21(2)20(24)17-10-12-18(13-11-17)22-14-6-9-19(22)23/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3.
What are the key properties of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide?
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 51188170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).