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

C13H16N2O2 — CID 81042932

IUPACN-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
SMILESCC(CCO)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H16N2O2/c1-9(6-7-16)14-13(17)12-8-10-4-2-3-5-11(10)15-12/h2-5,8-9,15-16H,6-7H2,1H3,(H,14,17)
InChIKeyXXARIXQXBWDCFH-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.67
Rot. Bonds4

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

N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide (PubChem CID 81042932) 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-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
PubChem CID81042932
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
SMILESCC(CCO)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H16N2O2/c1-9(6-7-16)14-13(17)12-8-10-4-2-3-5-11(10)15-12/h2-5,8-9,15-16H,6-7H2,1H3,(H,14,17)
InChIKeyXXARIXQXBWDCFH-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

(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
CID 107823080
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 44592009
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
methyl 3-(1H-indole-2-carbonylamino)pentanoate
CID 112533189
N-hex-5-yn-3-yl-1H-indole-2-carboxamide
CID 115647369
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide (CID 81042932) is N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide is CC(CCO)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide?
The InChIKey is XXARIXQXBWDCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(6-7-16)14-13(17)12-8-10-4-2-3-5-11(10)15-12/h2-5,8-9,15-16H,6-7H2,1H3,(H,14,17).
What are the key properties of N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide?
N-(4-hydroxybutan-2-yl)-1H-indole-2-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-2-carboxamide is sourced from PubChem (CID 81042932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).