N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C19H26N2O3 — CID 97011465

IUPACN-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(N[C@@H]1CCCCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H26N2O3/c22-13-15-6-2-1-3-9-17(15)20-19(24)14-7-4-8-16(12-14)21-11-5-10-18(21)23/h4,7-8,12,15,17,22H,1-3,5-6,9-11,13H2,(H,20,24)/t15-,17-/m1/s1
InChIKeyBCUALNDQVNDXLS-NVXWUHKLSA-N
MW330.43 g/mol
LogP2.48
Rot. Bonds4

About N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 97011465) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID97011465
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(N[C@@H]1CCCCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H26N2O3/c22-13-15-6-2-1-3-9-17(15)20-19(24)14-7-4-8-16(12-14)21-11-5-10-18(21)23/h4,7-8,12,15,17,22H,1-3,5-6,9-11,13H2,(H,20,24)/t15-,17-/m1/s1
InChIKeyBCUALNDQVNDXLS-NVXWUHKLSA-N
XLogP2.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4063191
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]azetidine-1-carboxamide
CID 146022903
N-(1-cyclopropylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86921682
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119456953
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119456952
3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103798593
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 40952996
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 97011465) is N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(N[C@@H]1CCCCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is BCUALNDQVNDXLS-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-13-15-6-2-1-3-9-17(15)20-19(24)14-7-4-8-16(12-14)21-11-5-10-18(21)23/h4,7-8,12,15,17,22H,1-3,5-6,9-11,13H2,(H,20,24)/t15-,17-/m1/s1.
What are the key properties of N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 330.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 97011465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).