N-hexyl-2,3-dihydro-1H-indole-3-carboxamide

C15H22N2O — CID 80565289

IUPACN-hexyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCCCCCNC(=O)C1CNc2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-3-4-7-10-16-15(18)13-11-17-14-9-6-5-8-12(13)14/h5-6,8-9,13,17H,2-4,7,10-11H2,1H3,(H,16,18)
InChIKeyIKZDGFLEGCZJBS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.89
Rot. Bonds6

About N-hexyl-2,3-dihydro-1H-indole-3-carboxamide

N-hexyl-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80565289) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-hexyl-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80565289
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-hexyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCCCCCNC(=O)C1CNc2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-3-4-7-10-16-15(18)13-11-17-14-9-6-5-8-12(13)14/h5-6,8-9,13,17H,2-4,7,10-11H2,1H3,(H,16,18)
InChIKeyIKZDGFLEGCZJBS-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydro-1H-indole-3-carbonylamino)butanoic acid
CID 80565766
2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
CID 115567924
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
CID 80573792
4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid
CID 80567354
N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106025969
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563456
N-[2-[cyclopentyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563493
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 113463842
N-propylsulfonyl-2,3-dihydro-1H-indole-3-carboxamide
CID 103307344
pentyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80566075
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565156

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-hexyl-2,3-dihydro-1H-indole-3-carboxamide (CID 80565289) is N-hexyl-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-hexyl-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-hexyl-2,3-dihydro-1H-indole-3-carboxamide is CCCCCCNC(=O)C1CNc2ccccc21.
What is the InChIKey of N-hexyl-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is IKZDGFLEGCZJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-4-7-10-16-15(18)13-11-17-14-9-6-5-8-12(13)14/h5-6,8-9,13,17H,2-4,7,10-11H2,1H3,(H,16,18).
What are the key properties of N-hexyl-2,3-dihydro-1H-indole-3-carboxamide?
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80565289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).