N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C17H24N2O — CID 103998500

IUPACN-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC1CCC(N(C)C(=O)c2ccc3c(c2)CNC3)CC1
InChIInChI=1S/C17H24N2O/c1-12-3-7-16(8-4-12)19(2)17(20)13-5-6-14-10-18-11-15(14)9-13/h5-6,9,12,16,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyKWAUTECZDHSINC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.94
Rot. Bonds2

About N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998500) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998500
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC1CCC(N(C)C(=O)c2ccc3c(c2)CNC3)CC1
InChIInChI=1S/C17H24N2O/c1-12-3-7-16(8-4-12)19(2)17(20)13-5-6-14-10-18-11-15(14)9-13/h5-6,9,12,16,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyKWAUTECZDHSINC-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997969
2-[2,3-dihydro-1H-isoindole-5-carbonyl(methyl)amino]acetic acid
CID 112547658
N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide
CID 25482097
N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 27859420
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 39902838
N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79119648
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113475632
N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 102861861
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
N-methyl-N-(4-methylcyclohexyl)-3,5-dinitrobenzamide
CID 32919661
N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998982
5-[methyl-(4-methylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725247

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998500) is N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide is CC1CCC(N(C)C(=O)c2ccc3c(c2)CNC3)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is KWAUTECZDHSINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-3-7-16(8-4-12)19(2)17(20)13-5-6-14-10-18-11-15(14)9-13/h5-6,9,12,16,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).