N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C18H26N2O — CID 80566702

IUPACN-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2N1)C1CCC(C)(C)CC1
InChIInChI=1S/C18H26N2O/c1-18(2)10-8-14(9-11-18)20(3)17(21)16-12-13-6-4-5-7-15(13)19-16/h4-7,14,16,19H,8-12H2,1-3H3
InChIKeyPKXGAEQYDFSJMO-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.45
Rot. Bonds2

About N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 80566702) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID80566702
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2N1)C1CCC(C)(C)CC1
InChIInChI=1S/C18H26N2O/c1-18(2)10-8-14(9-11-18)20(3)17(21)16-12-13-6-4-5-7-15(13)19-16/h4-7,14,16,19H,8-12H2,1-3H3
InChIKeyPKXGAEQYDFSJMO-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(oxan-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76893380
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155358
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155725
(2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 113426017
N-cyclopropyl-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893036
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251
3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid
CID 76914230
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid
CID 76894224

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 80566702) is N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CN(C(=O)C1Cc2ccccc2N1)C1CCC(C)(C)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is PKXGAEQYDFSJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2)10-8-14(9-11-18)20(3)17(21)16-12-13-6-4-5-7-15(13)19-16/h4-7,14,16,19H,8-12H2,1-3H3.
What are the key properties of N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 80566702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).