N,1-dibenzyl-2,3-dimethylindole-5-carboxamide

C25H24N2O — CID 20940123

IUPACN,1-dibenzyl-2,3-dimethylindole-5-carboxamide
SMILESCc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccccc3)cc12
InChIInChI=1S/C25H24N2O/c1-18-19(2)27(17-21-11-7-4-8-12-21)24-14-13-22(15-23(18)24)25(28)26-16-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,26,28)
InChIKeyJTCGCRAWZDWICH-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.24
Rot. Bonds5

About N,1-dibenzyl-2,3-dimethylindole-5-carboxamide

N,1-dibenzyl-2,3-dimethylindole-5-carboxamide (PubChem CID 20940123) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is N,1-dibenzyl-2,3-dimethylindole-5-carboxamide.

Molecular Properties

Compound NameN,1-dibenzyl-2,3-dimethylindole-5-carboxamide
PubChem CID20940123
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC NameN,1-dibenzyl-2,3-dimethylindole-5-carboxamide
SMILESCc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccccc3)cc12
InChIInChI=1S/C25H24N2O/c1-18-19(2)27(17-21-11-7-4-8-12-21)24-14-13-22(15-23(18)24)25(28)26-16-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,26,28)
InChIKeyJTCGCRAWZDWICH-UHFFFAOYSA-N
XLogP5.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.24
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

1-benzyl-2,3-dimethyl-N-(3-methylbutyl)indole-5-carboxamide
CID 20940136
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
2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane
CID 144948514
2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888438
2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 144948501
N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 20940057
1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940145
2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide
CID 20888433
1-[[4-(2-acetylphenyl)phenyl]methyl]-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dimethylindole-5-carboxamide
CID 118464375
2-[4-[[5-[[4-[amino(hydroxy)amino]phenyl]methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 144948606
2-[3-[[5-[(4-tert-butylphenyl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenoxy]propanoic acid
CID 144948569

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-2,3-dimethylindole-5-carboxamide?
The IUPAC name of N,1-dibenzyl-2,3-dimethylindole-5-carboxamide (CID 20940123) is N,1-dibenzyl-2,3-dimethylindole-5-carboxamide.
What is the SMILES notation for N,1-dibenzyl-2,3-dimethylindole-5-carboxamide?
The canonical SMILES for N,1-dibenzyl-2,3-dimethylindole-5-carboxamide is Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCc3ccccc3)cc12.
What is the InChIKey of N,1-dibenzyl-2,3-dimethylindole-5-carboxamide?
The InChIKey is JTCGCRAWZDWICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-18-19(2)27(17-21-11-7-4-8-12-21)24-14-13-22(15-23(18)24)25(28)26-16-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,26,28).
What are the key properties of N,1-dibenzyl-2,3-dimethylindole-5-carboxamide?
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-2,3-dimethylindole-5-carboxamide is sourced from PubChem (CID 20940123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).