N-butyl-6-methoxy-1H-indole-3-carboxamide

C14H18N2O2 — CID 113206507

IUPACN-butyl-6-methoxy-1H-indole-3-carboxamide
SMILESCCCCNC(=O)c1c[nH]c2cc(OC)ccc12
InChIInChI=1S/C14H18N2O2/c1-3-4-7-15-14(17)12-9-16-13-8-10(18-2)5-6-11(12)13/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyLDJVPTXJGFAQPU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.71
Rot. Bonds5

About N-butyl-6-methoxy-1H-indole-3-carboxamide

N-butyl-6-methoxy-1H-indole-3-carboxamide (PubChem CID 113206507) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-butyl-6-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methoxy-1H-indole-3-carboxamide
PubChem CID113206507
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-butyl-6-methoxy-1H-indole-3-carboxamide
SMILESCCCCNC(=O)c1c[nH]c2cc(OC)ccc12
InChIInChI=1S/C14H18N2O2/c1-3-4-7-15-14(17)12-9-16-13-8-10(18-2)5-6-11(12)13/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyLDJVPTXJGFAQPU-UHFFFAOYSA-N
XLogP2.71
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 78323048
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
CID 113206506
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
1-(5-methoxy-1H-indol-3-yl)nonan-1-one
CID 65448551
N-butyl-6-methoxy-1H-benzimidazole-2-carboxamide
CID 69198696

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-butyl-6-methoxy-1H-indole-3-carboxamide (CID 113206507) is N-butyl-6-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-butyl-6-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-butyl-6-methoxy-1H-indole-3-carboxamide is CCCCNC(=O)c1c[nH]c2cc(OC)ccc12.
What is the InChIKey of N-butyl-6-methoxy-1H-indole-3-carboxamide?
The InChIKey is LDJVPTXJGFAQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-7-15-14(17)12-9-16-13-8-10(18-2)5-6-11(12)13/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-6-methoxy-1H-indole-3-carboxamide?
N-butyl-6-methoxy-1H-indole-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).