N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide

C14H18N2O3 — CID 103877617

IUPACN-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H18N2O3/c1-19-9-12(17)5-7-16-14(18)11-3-2-10-4-6-15-13(10)8-11/h2-4,6,8,12,15,17H,5,7,9H2,1H3,(H,16,18)
InChIKeyQLNALTLYAXFQPA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.30
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide

N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide (PubChem CID 103877617) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
PubChem CID103877617
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H18N2O3/c1-19-9-12(17)5-7-16-14(18)11-3-2-10-4-6-15-13(10)8-11/h2-4,6,8,12,15,17H,5,7,9H2,1H3,(H,16,18)
InChIKeyQLNALTLYAXFQPA-UHFFFAOYSA-N
XLogP1.30
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide
CID 103876908
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103877366
3-cyano-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876697
4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162951
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-sulfanylbenzamide
CID 106248577
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
CID 112750978
3-amino-4-bromo-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162952
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide (CID 103877617) is N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide is COCC(O)CCNC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide?
The InChIKey is QLNALTLYAXFQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-9-12(17)5-7-16-14(18)11-3-2-10-4-6-15-13(10)8-11/h2-4,6,8,12,15,17H,5,7,9H2,1H3,(H,16,18).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 103877617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).