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

C17H24N2O — CID 103998982

IUPACN-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC1CCC(NC(=O)c2ccc3c(c2)CNC3)C(C)C1
InChIInChI=1S/C17H24N2O/c1-11-3-6-16(12(2)7-11)19-17(20)13-4-5-14-9-18-10-15(14)8-13/h4-5,8,11-12,16,18H,3,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyIELKHTPGOQLQGJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.84
Rot. Bonds2

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

N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998982) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998982
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC1CCC(NC(=O)c2ccc3c(c2)CNC3)C(C)C1
InChIInChI=1S/C17H24N2O/c1-11-3-6-16(12(2)7-11)19-17(20)13-4-5-14-9-18-10-15(14)8-13/h4-5,8,11-12,16,18H,3,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyIELKHTPGOQLQGJ-UHFFFAOYSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999041
N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489103
4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
CID 63999184
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773
2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349652
3-(chloromethyl)-N-(2,4-dimethylcyclohexyl)benzamide
CID 63995699
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
CID 63999980
3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide
CID 63994254
2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055688
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998661
N-(4-methylpiperidin-3-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55231266

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998982) is N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide is CC1CCC(NC(=O)c2ccc3c(c2)CNC3)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is IELKHTPGOQLQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11-3-6-16(12(2)7-11)19-17(20)13-4-5-14-9-18-10-15(14)8-13/h4-5,8,11-12,16,18H,3,6-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).