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

C21H24N2O2 — CID 132651775

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(N3CCCC3=O)c2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-14-9-10-19(15(2)12-14)16(3)22-21(25)17-6-4-7-18(13-17)23-11-5-8-20(23)24/h4,6-7,9-10,12-13,16H,5,8,11H2,1-3H3,(H,22,25)
InChIKeyCRTIEEMSCIUVSG-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.92
Rot. Bonds4

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

N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 132651775) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID132651775
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(N3CCCC3=O)c2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-14-9-10-19(15(2)12-14)16(3)22-21(25)17-6-4-7-18(13-17)23-11-5-8-20(23)24/h4,6-7,9-10,12-13,16H,5,8,11H2,1-3H3,(H,22,25)
InChIKeyCRTIEEMSCIUVSG-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 100639599
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide
CID 136586785
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9470704
N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 133199704
1-[1-(2,4-dimethylphenyl)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 133215393
N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27826911
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132662608

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 132651775) is N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(C(C)NC(=O)c2cccc(N3CCCC3=O)c2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is CRTIEEMSCIUVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-9-10-19(15(2)12-14)16(3)22-21(25)17-6-4-7-18(13-17)23-11-5-8-20(23)24/h4,6-7,9-10,12-13,16H,5,8,11H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 132651775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).