5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide

C16H23N3O2 — CID 107150492

IUPAC5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C16H23N3O2/c1-16(2,3)7-11(20)8-19-15(21)13-9-18-14-5-4-10(17)6-12(13)14/h4-6,9,11,18,20H,7-8,17H2,1-3H3,(H,19,21)
InChIKeyVRLNHNHRKUZAMS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.28
Rot. Bonds4

About 5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide

5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide (PubChem CID 107150492) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide
PubChem CID107150492
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C16H23N3O2/c1-16(2,3)7-11(20)8-19-15(21)13-9-18-14-5-4-10(17)6-12(13)14/h4-6,9,11,18,20H,7-8,17H2,1-3H3,(H,19,21)
InChIKeyVRLNHNHRKUZAMS-UHFFFAOYSA-N
XLogP2.28
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide
CID 63116738
5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
CID 107316240
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide
CID 79383870
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
CID 63117353
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
5-amino-N-pent-4-enyl-1H-indole-3-carboxamide
CID 114264539
5-amino-N-(2-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 63116828
ethyl 4-[(5-amino-1H-indole-3-carbonyl)amino]butanoate
CID 64581541
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 107416305

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide (CID 107150492) is 5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide is CC(C)(C)CC(O)CNC(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide?
The InChIKey is VRLNHNHRKUZAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)7-11(20)8-19-15(21)13-9-18-14-5-4-10(17)6-12(13)14/h4-6,9,11,18,20H,7-8,17H2,1-3H3,(H,19,21).
What are the key properties of 5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide?
5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 107150492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).