N-hexan-3-yl-1H-indole-5-carboxamide

C15H20N2O — CID 63718470

IUPACN-hexan-3-yl-1H-indole-5-carboxamide
SMILESCCCC(CC)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H20N2O/c1-3-5-13(4-2)17-15(18)12-6-7-14-11(10-12)8-9-16-14/h6-10,13,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyDEVCYSHXYRZATM-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.48
Rot. Bonds5

About N-hexan-3-yl-1H-indole-5-carboxamide

N-hexan-3-yl-1H-indole-5-carboxamide (PubChem CID 63718470) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-hexan-3-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-hexan-3-yl-1H-indole-5-carboxamide
PubChem CID63718470
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-hexan-3-yl-1H-indole-5-carboxamide
SMILESCCCC(CC)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H20N2O/c1-3-5-13(4-2)17-15(18)12-6-7-14-11(10-12)8-9-16-14/h6-10,13,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyDEVCYSHXYRZATM-UHFFFAOYSA-N
XLogP3.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.48
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-octan-4-yl-1H-indole-6-carboxamide
CID 106025028
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
N-pent-1-yn-3-yl-1H-indole-6-carboxamide
CID 103579373
(2S,3S)-2-(1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 7096551
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid
CID 65223413
N-(1-cyclohexylpropyl)-1H-indole-5-carboxamide
CID 63718650
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
(2R,3S)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381852
methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate
CID 71918006

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-1H-indole-5-carboxamide?
The IUPAC name of N-hexan-3-yl-1H-indole-5-carboxamide (CID 63718470) is N-hexan-3-yl-1H-indole-5-carboxamide.
What is the SMILES notation for N-hexan-3-yl-1H-indole-5-carboxamide?
The canonical SMILES for N-hexan-3-yl-1H-indole-5-carboxamide is CCCC(CC)NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-hexan-3-yl-1H-indole-5-carboxamide?
The InChIKey is DEVCYSHXYRZATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-5-13(4-2)17-15(18)12-6-7-14-11(10-12)8-9-16-14/h6-10,13,16H,3-5H2,1-2H3,(H,17,18).
What are the key properties of N-hexan-3-yl-1H-indole-5-carboxamide?
N-hexan-3-yl-1H-indole-5-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 63718470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).