3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide

C20H22N2O3 — CID 94198349

IUPAC3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O3/c1-25-17-10-5-9-16(13-17)20(24)21-18(15-7-3-2-4-8-15)14-22-12-6-11-19(22)23/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyRQQNCJYTIKECHG-SFHVURJKSA-N
MW338.41 g/mol
LogP2.79
Rot. Bonds6

About 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide

3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide (PubChem CID 94198349) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
PubChem CID94198349
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O3/c1-25-17-10-5-9-16(13-17)20(24)21-18(15-7-3-2-4-8-15)14-22-12-6-11-19(22)23/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyRQQNCJYTIKECHG-SFHVURJKSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 47043413
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide
CID 96549349
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 47043433
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
CID 47043426
1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide
CID 95139049
4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 55714545
1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 94154287
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51948068

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide?
The IUPAC name of 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide (CID 94198349) is 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide is COc1cccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide?
The InChIKey is RQQNCJYTIKECHG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-17-10-5-9-16(13-17)20(24)21-18(15-7-3-2-4-8-15)14-22-12-6-11-19(22)23/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide?
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide is sourced from PubChem (CID 94198349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).