N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C21H24N2O2 — CID 133199704

IUPACN-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCC(NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1C
InChIInChI=1S/C21H24N2O2/c1-3-19(18-11-5-4-8-15(18)2)22-21(25)16-9-6-10-17(14-16)23-13-7-12-20(23)24/h4-6,8-11,14,19H,3,7,12-13H2,1-2H3,(H,22,25)
InChIKeySFGUCDOWOFHLRB-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.00
Rot. Bonds5

About N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 133199704) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID133199704
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCC(NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1C
InChIInChI=1S/C21H24N2O2/c1-3-19(18-11-5-4-8-15(18)2)22-21(25)16-9-6-10-17(14-16)23-13-7-12-20(23)24/h4-6,8-11,14,19H,3,7,12-13H2,1-2H3,(H,22,25)
InChIKeySFGUCDOWOFHLRB-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51577737
(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid
CID 51521923
dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium
CID 8938357
N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651775
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9470704
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 100639599
dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate
CID 95742879
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110306227
(E)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]hex-4-enoic acid
CID 120692659
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 133199704) is N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CCC(NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is SFGUCDOWOFHLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-19(18-11-5-4-8-15(18)2)22-21(25)16-9-6-10-17(14-16)23-13-7-12-20(23)24/h4-6,8-11,14,19H,3,7,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 133199704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).