N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide

C18H18N2O — CID 113204265

IUPACN-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2[nH]c3ccccc3c2C)cc1
InChIInChI=1S/C18H18N2O/c1-3-13-8-10-14(11-9-13)19-18(21)17-12(2)15-6-4-5-7-16(15)20-17/h4-11,20H,3H2,1-2H3,(H,19,21)
InChIKeyHWEIKKNXNAYFNM-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.29
Rot. Bonds3

About N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide

N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 113204265) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
PubChem CID113204265
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2[nH]c3ccccc3c2C)cc1
InChIInChI=1S/C18H18N2O/c1-3-13-8-10-14(11-9-13)19-18(21)17-12(2)15-6-4-5-7-16(15)20-17/h4-11,20H,3H2,1-2H3,(H,19,21)
InChIKeyHWEIKKNXNAYFNM-UHFFFAOYSA-N
XLogP4.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
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-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
3-[2-(4-ethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 4688274
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide
CID 112827860
N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 110861099
N-(4-ethylphenyl)-1H-indole-3-carboxamide;molecular hydrogen
CID 159635618
N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide
CID 47037294
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
N-(4-ethylphenyl)benzamide
CID 774063
2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
CID 96619133
3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 113204204

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide (CID 113204265) is N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide is CCc1ccc(NC(=O)c2[nH]c3ccccc3c2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide?
The InChIKey is HWEIKKNXNAYFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-13-8-10-14(11-9-13)19-18(21)17-12(2)15-6-4-5-7-16(15)20-17/h4-11,20H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide?
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113204265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).