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

C21H24N2O3 — CID 51577737

IUPACN-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(OC)cc1
InChIInChI=1S/C21H24N2O3/c1-3-19(15-9-11-18(26-2)12-10-15)22-21(25)16-6-4-7-17(14-16)23-13-5-8-20(23)24/h4,6-7,9-12,14,19H,3,5,8,13H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyHUQXGYXFFZLYFD-IBGZPJMESA-N
MW352.43 g/mol
LogP3.70
Rot. Bonds6

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

N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 51577737) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID51577737
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(OC)cc1
InChIInChI=1S/C21H24N2O3/c1-3-19(15-9-11-18(26-2)12-10-15)22-21(25)16-6-4-7-17(14-16)23-13-5-8-20(23)24/h4,6-7,9-12,14,19H,3,5,8,13H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyHUQXGYXFFZLYFD-IBGZPJMESA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870
N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 24547712
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100653135
N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 133199704
(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-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704372
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
dimethyl (2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]butanedioate
CID 95742879
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
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-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 51577737) is N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is HUQXGYXFFZLYFD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-19(15-9-11-18(26-2)12-10-15)22-21(25)16-6-4-7-17(14-16)23-13-5-8-20(23)24/h4,6-7,9-12,14,19H,3,5,8,13H2,1-2H3,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 51577737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).