N-octan-4-yl-1H-indole-6-carboxamide

C17H24N2O — CID 106025028

IUPACN-octan-4-yl-1H-indole-6-carboxamide
SMILESCCCCC(CCC)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H24N2O/c1-3-5-7-15(6-4-2)19-17(20)14-9-8-13-10-11-18-16(13)12-14/h8-12,15,18H,3-7H2,1-2H3,(H,19,20)
InChIKeyDWCOWEFPZXDEOH-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.26
Rot. Bonds7

About N-octan-4-yl-1H-indole-6-carboxamide

N-octan-4-yl-1H-indole-6-carboxamide (PubChem CID 106025028) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-octan-4-yl-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-octan-4-yl-1H-indole-6-carboxamide
PubChem CID106025028
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-octan-4-yl-1H-indole-6-carboxamide
SMILESCCCCC(CCC)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H24N2O/c1-3-5-7-15(6-4-2)19-17(20)14-9-8-13-10-11-18-16(13)12-14/h8-12,15,18H,3-7H2,1-2H3,(H,19,20)
InChIKeyDWCOWEFPZXDEOH-UHFFFAOYSA-N
XLogP4.26
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide
CID 80697182
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
N-octan-4-yl-1H-indole-7-carboxamide
CID 106025020
N-pent-1-yn-3-yl-1H-indole-6-carboxamide
CID 103579373
3-heptan-4-ylsulfonyl-2-(1H-indole-6-carbonylamino)propanoic acid;hydrochloride
CID 69320690
N-octan-4-yl-4-sulfanylbenzamide
CID 114138154
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
CID 106353350
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-1H-indole-6-carboxamide?
The IUPAC name of N-octan-4-yl-1H-indole-6-carboxamide (CID 106025028) is N-octan-4-yl-1H-indole-6-carboxamide.
What is the SMILES notation for N-octan-4-yl-1H-indole-6-carboxamide?
The canonical SMILES for N-octan-4-yl-1H-indole-6-carboxamide is CCCCC(CCC)NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-octan-4-yl-1H-indole-6-carboxamide?
The InChIKey is DWCOWEFPZXDEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-5-7-15(6-4-2)19-17(20)14-9-8-13-10-11-18-16(13)12-14/h8-12,15,18H,3-7H2,1-2H3,(H,19,20).
What are the key properties of N-octan-4-yl-1H-indole-6-carboxamide?
N-octan-4-yl-1H-indole-6-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-1H-indole-6-carboxamide is sourced from PubChem (CID 106025028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).