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

C20H22N2O3 — CID 132651870

IUPACN-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C20H22N2O3/c1-14(15-8-10-18(25-2)11-9-15)21-20(24)16-5-3-6-17(13-16)22-12-4-7-19(22)23/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,21,24)
InChIKeyRBCKCLZBACNUOO-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.31
Rot. Bonds5

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

N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 132651870) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID132651870
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C20H22N2O3/c1-14(15-8-10-18(25-2)11-9-15)21-20(24)16-5-3-6-17(13-16)22-12-4-7-19(22)23/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,21,24)
InChIKeyRBCKCLZBACNUOO-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51577737
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132662608
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55588399
2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 46828137
N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651775
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate
CID 95742879
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9370024
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9470704

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 132651870) is N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is COc1ccc(C(C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is RBCKCLZBACNUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(15-8-10-18(25-2)11-9-15)21-20(24)16-5-3-6-17(13-16)22-12-4-7-19(22)23/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 132651870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).