N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide

C13H16N2O2 — CID 81043314

IUPACN-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
SMILESCC(CCO)NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C13H16N2O2/c1-9(6-8-16)15-13(17)11-3-2-4-12-10(11)5-7-14-12/h2-5,7,9,14,16H,6,8H2,1H3,(H,15,17)
InChIKeyJSUWUXAEIJFGOT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.67
Rot. Bonds4

About N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide

N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide (PubChem CID 81043314) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
PubChem CID81043314
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
SMILESCC(CCO)NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C13H16N2O2/c1-9(6-8-16)15-13(17)11-3-2-4-12-10(11)5-7-14-12/h2-5,7,9,14,16H,6,8H2,1H3,(H,15,17)
InChIKeyJSUWUXAEIJFGOT-UHFFFAOYSA-N
XLogP1.67
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445
N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 97086507
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
1H-indole-4-carbohydrazide
CID 43316644
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
N-[1-(furan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581973
2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467273
tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate
CID 80998151
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide (CID 81043314) is N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide is CC(CCO)NC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide?
The InChIKey is JSUWUXAEIJFGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(6-8-16)15-13(17)11-3-2-4-12-10(11)5-7-14-12/h2-5,7,9,14,16H,6,8H2,1H3,(H,15,17).
What are the key properties of N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide?
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 81043314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).