1-acetyl-N-butyl-5-methoxyindole-3-carboxamide

C16H20N2O3 — CID 113212689

IUPAC1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
SMILESCCCCNC(=O)c1cn(C(C)=O)c2ccc(OC)cc12
InChIInChI=1S/C16H20N2O3/c1-4-5-8-17-16(20)14-10-18(11(2)19)15-7-6-12(21-3)9-13(14)15/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,20)
InChIKeyMHSATZGXBHFQSR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.84
Rot. Bonds5

About 1-acetyl-N-butyl-5-methoxyindole-3-carboxamide

1-acetyl-N-butyl-5-methoxyindole-3-carboxamide (PubChem CID 113212689) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-acetyl-N-butyl-5-methoxyindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
PubChem CID113212689
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-acetyl-N-butyl-5-methoxyindole-3-carboxamide
SMILESCCCCNC(=O)c1cn(C(C)=O)c2ccc(OC)cc12
InChIInChI=1S/C16H20N2O3/c1-4-5-8-17-16(20)14-10-18(11(2)19)15-7-6-12(21-3)9-13(14)15/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,20)
InChIKeyMHSATZGXBHFQSR-UHFFFAOYSA-N
XLogP2.84
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-butan-2-yl-5-methoxyindole-3-carboxamide
CID 113212691
1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide
CID 113212396
1-acetyl-N-pentylindole-3-carboxamide
CID 113207899
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide
CID 113212725
1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
CID 113212814
1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
CID 113207832
methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824
1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide
CID 113212714
1-acetyl-N-(2,3-dimethylphenyl)-5-methoxyindole-3-carboxamide
CID 113212780
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide
CID 113212758

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-butyl-5-methoxyindole-3-carboxamide?
The IUPAC name of 1-acetyl-N-butyl-5-methoxyindole-3-carboxamide (CID 113212689) is 1-acetyl-N-butyl-5-methoxyindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-butyl-5-methoxyindole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-butyl-5-methoxyindole-3-carboxamide is CCCCNC(=O)c1cn(C(C)=O)c2ccc(OC)cc12.
What is the InChIKey of 1-acetyl-N-butyl-5-methoxyindole-3-carboxamide?
The InChIKey is MHSATZGXBHFQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-5-8-17-16(20)14-10-18(11(2)19)15-7-6-12(21-3)9-13(14)15/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,20).
What are the key properties of 1-acetyl-N-butyl-5-methoxyindole-3-carboxamide?
1-acetyl-N-butyl-5-methoxyindole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-butyl-5-methoxyindole-3-carboxamide is sourced from PubChem (CID 113212689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).