5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide

C18H18N2O2 — CID 174893030

IUPAC5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(c2)c(C)c(C(N)=O)n3C)cc1
InChIInChI=1S/C18H18N2O2/c1-11-15-10-13(12-4-7-14(22-3)8-5-12)6-9-16(15)20(2)17(11)18(19)21/h4-10H,1-3H3,(H2,19,21)
InChIKeyFTNZLBWKYAFHDK-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.26
Rot. Bonds3

About 5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide

5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide (PubChem CID 174893030) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
PubChem CID174893030
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
SMILESCOc1ccc(-c2ccc3c(c2)c(C)c(C(N)=O)n3C)cc1
InChIInChI=1S/C18H18N2O2/c1-11-15-10-13(12-4-7-14(22-3)8-5-12)6-9-16(15)20(2)17(11)18(19)21/h4-10H,1-3H3,(H2,19,21)
InChIKeyFTNZLBWKYAFHDK-UHFFFAOYSA-N
XLogP3.26
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide (CID 174893030) is 5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide is COc1ccc(-c2ccc3c(c2)c(C)c(C(N)=O)n3C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide?
The InChIKey is FTNZLBWKYAFHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-15-10-13(12-4-7-14(22-3)8-5-12)6-9-16(15)20(2)17(11)18(19)21/h4-10H,1-3H3,(H2,19,21).
What are the key properties of 5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide?
5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide is sourced from PubChem (CID 174893030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).