N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide

C17H21NO2 — CID 79119648

IUPACN-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CCC2)C1CCC(=O)CC1
InChIInChI=1S/C17H21NO2/c1-18(15-7-9-16(19)10-8-15)17(20)14-6-5-12-3-2-4-13(12)11-14/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyXXDAOFYPVWHCCR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds2

About N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide

N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 79119648) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID79119648
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CCC2)C1CCC(=O)CC1
InChIInChI=1S/C17H21NO2/c1-18(15-7-9-16(19)10-8-15)17(20)14-6-5-12-3-2-4-13(12)11-14/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyXXDAOFYPVWHCCR-UHFFFAOYSA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 39902838
3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 81471710
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264
3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79726601
N-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 123712985
N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 123893223
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 113395910
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
N-cyclopentyl-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712002
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 79119648) is N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide is CN(C(=O)c1ccc2c(c1)CCC2)C1CCC(=O)CC1.
What is the InChIKey of N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is XXDAOFYPVWHCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18(15-7-9-16(19)10-8-15)17(20)14-6-5-12-3-2-4-13(12)11-14/h5-6,11,15H,2-4,7-10H2,1H3.
What are the key properties of N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 79119648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).