N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide

C21H24N2O2 — CID 71839041

IUPACN-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccc(C)c(C)c3)C2=O)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-13-5-8-18(16(4)11-13)20(24)22-19-9-10-23(21(19)25)17-7-6-14(2)15(3)12-17/h5-8,11-12,19H,9-10H2,1-4H3,(H,22,24)
InChIKeyMNEMTEXQFOFCDV-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.46
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide

N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide (PubChem CID 71839041) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
PubChem CID71839041
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccc(C)c(C)c3)C2=O)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-13-5-8-18(16(4)11-13)20(24)22-19-9-10-23(21(19)25)17-7-6-14(2)15(3)12-17/h5-8,11-12,19H,9-10H2,1-4H3,(H,22,24)
InChIKeyMNEMTEXQFOFCDV-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 71838984
N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide
CID 71839042
1-tert-butyl-3-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838832
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 71838793
5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 126786075
3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 124588987
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea
CID 71838789
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113251113

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide (CID 71839041) is N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC2CCN(c3ccc(C)c(C)c3)C2=O)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide?
The InChIKey is MNEMTEXQFOFCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-13-5-8-18(16(4)11-13)20(24)22-19-9-10-23(21(19)25)17-7-6-14(2)15(3)12-17/h5-8,11-12,19H,9-10H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide?
N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide is sourced from PubChem (CID 71839041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).