N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide

C19H20N2O — CID 113204429

IUPACN-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2c(C)c3ccccc3n2C)cc1
InChIInChI=1S/C19H20N2O/c1-4-14-9-11-15(12-10-14)20-19(22)18-13(2)16-7-5-6-8-17(16)21(18)3/h5-12H,4H2,1-3H3,(H,20,22)
InChIKeyULWISYXAWNWOKR-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.30
Rot. Bonds3

About N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide

N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide (PubChem CID 113204429) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide
PubChem CID113204429
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2c(C)c3ccccc3n2C)cc1
InChIInChI=1S/C19H20N2O/c1-4-14-9-11-15(12-10-14)20-19(22)18-13(2)16-7-5-6-8-17(16)21(18)3/h5-12H,4H2,1-3H3,(H,20,22)
InChIKeyULWISYXAWNWOKR-UHFFFAOYSA-N
XLogP4.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.30
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

3-methoxy-1-methyl-N-(4-methylphenyl)indole-2-carboxamide
CID 14210891
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
CID 113204328
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15994236
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204265
1-butyl-3-methyl-N-pyridin-4-ylindole-2-carboxamide
CID 110501411
N-(4-ethylphenyl)benzamide
CID 774063
methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55964473
N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
CID 113204340
1-butyl-3-methyl-N-(4-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 110501327

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide (CID 113204429) is N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide is CCc1ccc(NC(=O)c2c(C)c3ccccc3n2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide?
The InChIKey is ULWISYXAWNWOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-4-14-9-11-15(12-10-14)20-19(22)18-13(2)16-7-5-6-8-17(16)21(18)3/h5-12H,4H2,1-3H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide?
N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide is sourced from PubChem (CID 113204429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).