N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide

C17H23N3O2 — CID 69439081

IUPACN-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESNC1CCCCC1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H23N3O2/c18-14-4-1-2-5-15(14)19-17(22)12-7-9-13(10-8-12)20-11-3-6-16(20)21/h7-10,14-15H,1-6,11,18H2,(H,19,22)
InChIKeyLVINFPITHCUSSE-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.81
Rot. Bonds3

About N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 69439081) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID69439081
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESNC1CCCCC1NC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H23N3O2/c18-14-4-1-2-5-15(14)19-17(22)12-7-9-13(10-8-12)20-11-3-6-16(20)21/h7-10,14-15H,1-6,11,18H2,(H,19,22)
InChIKeyLVINFPITHCUSSE-UHFFFAOYSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminooxan-4-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 69439191
N-(2-carbamoylcyclopentyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18453013
N-(2-aminocyclopentyl)-2-fluoro-4-(2-oxopyrrolidin-1-yl)benzamide
CID 69439234
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
N-(2-aminocyclopentyl)-2-fluoro-4-(2-oxopiperidin-1-yl)benzamide
CID 69440309
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248
N-[(1R,2S)-2-(hydroxymethyl)cycloheptyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 97011465
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4063191

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 69439081) is N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide is NC1CCCCC1NC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LVINFPITHCUSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-14-4-1-2-5-15(14)19-17(22)12-7-9-13(10-8-12)20-11-3-6-16(20)21/h7-10,14-15H,1-6,11,18H2,(H,19,22).
What are the key properties of N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 301.39 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 69439081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).