2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide

C28H30N2O — CID 20888436

IUPAC2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
SMILESCc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCCc4ccccc4C)ccc32)c1
InChIInChI=1S/C28H30N2O/c1-19-8-7-10-23(16-19)18-30-22(4)21(3)26-17-25(12-13-27(26)30)28(31)29-15-14-24-11-6-5-9-20(24)2/h5-13,16-17H,14-15,18H2,1-4H3,(H,29,31)
InChIKeyYIEFJFJATDYXKF-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.90
Rot. Bonds6

About 2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide

2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide (PubChem CID 20888436) has the molecular formula C28H30N2O and a molecular weight of 410.56 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
PubChem CID20888436
Molecular FormulaC28H30N2O
Molecular Weight410.56 g/mol
Exact Mass410.24
IUPAC Name2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
SMILESCc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCCc4ccccc4C)ccc32)c1
InChIInChI=1S/C28H30N2O/c1-19-8-7-10-23(16-19)18-30-22(4)21(3)26-17-25(12-13-27(26)30)28(31)29-15-14-24-11-6-5-9-20(24)2/h5-13,16-17H,14-15,18H2,1-4H3,(H,29,31)
InChIKeyYIEFJFJATDYXKF-UHFFFAOYSA-N
XLogP5.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888438
N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940312
N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940314
N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888437
N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20876874
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
1-benzyl-2,3-dimethyl-N-(3-methylbutyl)indole-5-carboxamide
CID 20940136
2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide
CID 20888433
1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940145
1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide
CID 154688149
4-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976528
2-[4-[[2,3-dimethyl-5-[2-(3-propan-2-ylphenyl)ethylcarbamoyl]indol-1-yl]methyl]-3-methylphenoxy]acetic acid
CID 71089678

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide (CID 20888436) is 2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide is Cc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCCc4ccccc4C)ccc32)c1.
What is the InChIKey of 2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The InChIKey is YIEFJFJATDYXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O/c1-19-8-7-10-23(16-19)18-30-22(4)21(3)26-17-25(12-13-27(26)30)28(31)29-15-14-24-11-6-5-9-20(24)2/h5-13,16-17H,14-15,18H2,1-4H3,(H,29,31).
What are the key properties of 2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 20888436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).