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

C20H22N2O — CID 34909087

IUPACN,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C20H22N2O/c1-13-7-5-6-8-17(13)12-22(4)20(23)16-9-10-19-18(11-16)14(2)15(3)21-19/h5-11,21H,12H2,1-4H3
InChIKeyPEWZTYBQDCRDSF-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.37
Rot. Bonds3

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

N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide (PubChem CID 34909087) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide
PubChem CID34909087
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C20H22N2O/c1-13-7-5-6-8-17(13)12-22(4)20(23)16-9-10-19-18(11-16)14(2)15(3)21-19/h5-11,21H,12H2,1-4H3
InChIKeyPEWZTYBQDCRDSF-UHFFFAOYSA-N
XLogP4.37
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 46823002
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
N,2,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-5-carboxamide
CID 31750558
N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 18119969
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 61094065
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
N-methyl-N-[(2-methylphenyl)methyl]thiophene-3-carboxamide
CID 78803856
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide (CID 34909087) is N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide is Cc1ccccc1CN(C)C(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide?
The InChIKey is PEWZTYBQDCRDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-13-7-5-6-8-17(13)12-22(4)20(23)16-9-10-19-18(11-16)14(2)15(3)21-19/h5-11,21H,12H2,1-4H3.
What are the key properties of N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide?
N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 34909087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).