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

C27H28N2O — CID 20888438

IUPAC2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
SMILESCc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCc4ccccc4C)ccc32)c1
InChIInChI=1S/C27H28N2O/c1-18-8-7-10-22(14-18)17-29-21(4)20(3)25-15-23(12-13-26(25)29)27(30)28-16-24-11-6-5-9-19(24)2/h5-15H,16-17H2,1-4H3,(H,28,30)
InChIKeyGIYBBWYZRCFTPK-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.85
Rot. Bonds5

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

2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide (PubChem CID 20888438) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
PubChem CID20888438
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
SMILESCc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCc4ccccc4C)ccc32)c1
InChIInChI=1S/C27H28N2O/c1-18-8-7-10-22(14-18)17-29-21(4)20(3)25-15-23(12-13-26(25)29)27(30)28-16-24-11-6-5-9-19(24)2/h5-15H,16-17H2,1-4H3,(H,28,30)
InChIKeyGIYBBWYZRCFTPK-UHFFFAOYSA-N
XLogP5.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888436
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,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940314
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940312
2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide
CID 20888433
1-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,3-dimethylindole-5-carboxamide
CID 154688149
1-benzyl-2,3-dimethyl-N-(3-methylbutyl)indole-5-carboxamide
CID 20940136
2-[4-[[2,3-dimethyl-5-[(3-methylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[(4-methylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[(4-phenylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(3-methoxyphenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[(4-methoxyphenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 158881479
2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 144948501
2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane
CID 144948514

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide (CID 20888438) is 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide is Cc1cccc(Cn2c(C)c(C)c3cc(C(=O)NCc4ccccc4C)ccc32)c1.
What is the InChIKey of 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The InChIKey is GIYBBWYZRCFTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O/c1-18-8-7-10-22(14-18)17-29-21(4)20(3)25-15-23(12-13-26(25)29)27(30)28-16-24-11-6-5-9-19(24)2/h5-15H,16-17H2,1-4H3,(H,28,30).
What are the key properties of 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 5.85, 5 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-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 20888438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).