1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide

C23H28N2O2 — CID 110497281

IUPAC1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide
SMILESCCCCn1c(C(=O)NCCc2ccc(OC)cc2)c(C)c2ccccc21
InChIInChI=1S/C23H28N2O2/c1-4-5-16-25-21-9-7-6-8-20(21)17(2)22(25)23(26)24-15-14-18-10-12-19(27-3)13-11-18/h6-13H,4-5,14-16H2,1-3H3,(H,24,26)
InChIKeyZBURGQGISZPBSM-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.73
Rot. Bonds8

About 1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide

1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide (PubChem CID 110497281) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide
PubChem CID110497281
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide
SMILESCCCCn1c(C(=O)NCCc2ccc(OC)cc2)c(C)c2ccccc21
InChIInChI=1S/C23H28N2O2/c1-4-5-16-25-21-9-7-6-8-20(21)17(2)22(25)23(26)24-15-14-18-10-12-19(27-3)13-11-18/h6-13H,4-5,14-16H2,1-3H3,(H,24,26)
InChIKeyZBURGQGISZPBSM-UHFFFAOYSA-N
XLogP4.73
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[(1-butyl-3-methylindole-2-carbonyl)amino]butanoic acid
CID 110497307
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110497283
1-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methylindole-2-carboxamide
CID 110503524
1-butyl-N-(6-chloro-2-pyridinyl)-3-methylindole-2-carboxamide
CID 110501404
1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
CID 110501258
1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638
N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide?
The IUPAC name of 1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide (CID 110497281) is 1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide.
What is the SMILES notation for 1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide?
The canonical SMILES for 1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide is CCCCn1c(C(=O)NCCc2ccc(OC)cc2)c(C)c2ccccc21.
What is the InChIKey of 1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide?
The InChIKey is ZBURGQGISZPBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-5-16-25-21-9-7-6-8-20(21)17(2)22(25)23(26)24-15-14-18-10-12-19(27-3)13-11-18/h6-13H,4-5,14-16H2,1-3H3,(H,24,26).
What are the key properties of 1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide?
1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2-(4-methoxyphenyl)ethyl]-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).