N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide

C15H20N2O2 — CID 111483563

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C15H20N2O2/c1-10(2)15(3,19)9-17-14(18)12-6-4-5-11-7-8-16-13(11)12/h4-8,10,16,19H,9H2,1-3H3,(H,17,18)
InChIKeyKPNSVAAWGRDFNC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.30
Rot. Bonds4

About N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide

N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide (PubChem CID 111483563) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide
PubChem CID111483563
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C15H20N2O2/c1-10(2)15(3,19)9-17-14(18)12-6-4-5-11-7-8-16-13(11)12/h4-8,10,16,19H,9H2,1-3H3,(H,17,18)
InChIKeyKPNSVAAWGRDFNC-UHFFFAOYSA-N
XLogP2.30
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Carboxaldehyde
CID 10256
Indoramin
CID 33625
1H-indole-3-carboxamide
CID 2192542
Indole-5-carboxamide
CID 14973220
CP-409092
CID 9839190
Indoramin hydrochloride
CID 38102
3-Acetylindole
CID 12802
5-Fluoro CUMYL-PICA
CID 117650397
Indole, 3-(dimethylaminoacetyl)-
CID 34863
Tryptamide
CID 65768
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
5-Carboxamidotryptamine maleate
CID 11709509

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide (CID 111483563) is N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide is CC(C)C(C)(O)CNC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide?
The InChIKey is KPNSVAAWGRDFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)15(3,19)9-17-14(18)12-6-4-5-11-7-8-16-13(11)12/h4-8,10,16,19H,9H2,1-3H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide?
N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 111483563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).