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

C20H22N2O — CID 20940314

IUPACN,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1cccc(C)c1
InChIInChI=1S/C20H22N2O/c1-13-6-5-7-16(10-13)12-22-15(3)14(2)18-11-17(20(23)21-4)8-9-19(18)22/h5-11H,12H2,1-4H3,(H,21,23)
InChIKeyMMQQCKPCWKQDRN-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.97
Rot. Bonds3

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

N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide (PubChem CID 20940314) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound NameN,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
PubChem CID20940314
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1cccc(C)c1
InChIInChI=1S/C20H22N2O/c1-13-6-5-7-16(10-13)12-22-15(3)14(2)18-11-17(20(23)21-4)8-9-19(18)22/h5-11H,12H2,1-4H3,(H,21,23)
InChIKeyMMQQCKPCWKQDRN-UHFFFAOYSA-N
XLogP3.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.97
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

N-(3-methoxypropyl)-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20940312
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-N-[(2-methylphenyl)methyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888438
2,3-dimethyl-N-[2-(2-methylphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888436
2,3-dimethyl-1-[(3-methylphenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]indole-5-carboxamide
CID 20888433
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
1-benzyl-2,3-dimethyl-N-(3-methylbutyl)indole-5-carboxamide
CID 20940136
1-benzyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940145
1-[[3-[hydroxy(methoxy)methyl]phenyl]methyl]-2,3-dimethylindole-5-carboxylic acid
CID 155061325
2,3-dimethyl-1-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide
CID 144948622
2,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
CID 71109704

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The IUPAC name of N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide (CID 20940314) is N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide is CNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1cccc(C)c1.
What is the InChIKey of N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
The InChIKey is MMQQCKPCWKQDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-13-6-5-7-16(10-13)12-22-15(3)14(2)18-11-17(20(23)21-4)8-9-19(18)22/h5-11H,12H2,1-4H3,(H,21,23).
What are the key properties of N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide?
N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 20940314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).