N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide

C13H16N2O2 — CID 103920171

IUPACN-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
SMILESCC[C@H](CO)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H16N2O2/c1-2-11(8-16)15-13(17)10-4-3-9-5-6-14-12(9)7-10/h3-7,11,14,16H,2,8H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyXMTJUGPOPXDWOQ-LLVKDONJSA-N
MW232.28 g/mol
LogP1.67
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide (PubChem CID 103920171) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
PubChem CID103920171
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
SMILESCC[C@H](CO)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H16N2O2/c1-2-11(8-16)15-13(17)10-4-3-9-5-6-14-12(9)7-10/h3-7,11,14,16H,2,8H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyXMTJUGPOPXDWOQ-LLVKDONJSA-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-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
N-pent-1-yn-3-yl-1H-indole-6-carboxamide
CID 103579373
N-octan-4-yl-1H-indole-6-carboxamide
CID 106025028
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470
(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 80750330
(2S)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 55230988
methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
CID 106353350
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide (CID 103920171) is N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide is CC[C@H](CO)NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide?
The InChIKey is XMTJUGPOPXDWOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-11(8-16)15-13(17)10-4-3-9-5-6-14-12(9)7-10/h3-7,11,14,16H,2,8H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-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-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 103920171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).