N-octan-2-yl-1H-indole-5-carboxamide

C17H24N2O — CID 63716567

IUPACN-octan-2-yl-1H-indole-5-carboxamide
SMILESCCCCCCC(C)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-7-13(2)19-17(20)15-8-9-16-14(12-15)10-11-18-16/h8-13,18H,3-7H2,1-2H3,(H,19,20)
InChIKeyKEKDKKGAXFKBSL-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.26
Rot. Bonds7

About N-octan-2-yl-1H-indole-5-carboxamide

N-octan-2-yl-1H-indole-5-carboxamide (PubChem CID 63716567) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-octan-2-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-octan-2-yl-1H-indole-5-carboxamide
PubChem CID63716567
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-octan-2-yl-1H-indole-5-carboxamide
SMILESCCCCCCC(C)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-7-13(2)19-17(20)15-8-9-16-14(12-15)10-11-18-16/h8-13,18H,3-7H2,1-2H3,(H,19,20)
InChIKeyKEKDKKGAXFKBSL-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

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide
CID 80697182
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470
N-pent-4-en-2-yl-1H-indole-5-carboxamide
CID 113237404
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
N-pentylsulfonyl-1H-indole-5-carboxamide
CID 141014776
(2S,3S)-2-(1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 7096551
N-octan-4-yl-1H-indole-6-carboxamide
CID 106025028
N-octan-2-yl-1H-indol-5-amine
CID 43130007
methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate
CID 71918006
(2S,3R)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381849

Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-1H-indole-5-carboxamide?
The IUPAC name of N-octan-2-yl-1H-indole-5-carboxamide (CID 63716567) is N-octan-2-yl-1H-indole-5-carboxamide.
What is the SMILES notation for N-octan-2-yl-1H-indole-5-carboxamide?
The canonical SMILES for N-octan-2-yl-1H-indole-5-carboxamide is CCCCCCC(C)NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-octan-2-yl-1H-indole-5-carboxamide?
The InChIKey is KEKDKKGAXFKBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-5-6-7-13(2)19-17(20)15-8-9-16-14(12-15)10-11-18-16/h8-13,18H,3-7H2,1-2H3,(H,19,20).
What are the key properties of N-octan-2-yl-1H-indole-5-carboxamide?
N-octan-2-yl-1H-indole-5-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-2-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 63716567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).