N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide

C16H22N2O2 — CID 106353350

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)14(7-9-19)18-15(20)12-5-4-11-6-8-17-13(11)10-12/h4-6,8,10,14,17,19H,7,9H2,1-3H3,(H,18,20)
InChIKeyAWYOQFALGMGYLC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.69
Rot. Bonds4

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide (PubChem CID 106353350) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
PubChem CID106353350
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)14(7-9-19)18-15(20)12-5-4-11-6-8-17-13(11)10-12/h4-6,8,10,14,17,19H,7,9H2,1-3H3,(H,18,20)
InChIKeyAWYOQFALGMGYLC-UHFFFAOYSA-N
XLogP2.69
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 106353049
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
(2S)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 55230988
(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 80750330
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide
CID 106356124
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide (CID 106353350) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide is CC(C)(C)C(CCO)NC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide?
The InChIKey is AWYOQFALGMGYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)14(7-9-19)18-15(20)12-5-4-11-6-8-17-13(11)10-12/h4-6,8,10,14,17,19H,7,9H2,1-3H3,(H,18,20).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 106353350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).