N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide

C20H22N2O — CID 110501475

IUPACN-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)Nc2c(C)cccc2C)c(C)c2ccccc21
InChIInChI=1S/C20H22N2O/c1-5-22-17-12-7-6-11-16(17)15(4)19(22)20(23)21-18-13(2)9-8-10-14(18)3/h6-12H,5H2,1-4H3,(H,21,23)
InChIKeyVRSLSTZPQZHANL-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.84
Rot. Bonds3

About N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide

N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110501475) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110501475
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)Nc2c(C)cccc2C)c(C)c2ccccc21
InChIInChI=1S/C20H22N2O/c1-5-22-17-12-7-6-11-16(17)15(4)19(22)20(23)21-18-13(2)9-8-10-14(18)3/h6-12H,5H2,1-4H3,(H,21,23)
InChIKeyVRSLSTZPQZHANL-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
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-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501443
1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501570
N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110501576
1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501591
1-butyl-N-(2,6-dichlorophenyl)-3-methylindole-2-carboxamide
CID 110501258
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide
CID 110497414
2-[[2-[(1-ethyl-3-methylindole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 110497425
1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide
CID 110497370
N-(2-chloro-4-nitrophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501483
N-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678843

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide (CID 110501475) is N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide is CCn1c(C(=O)Nc2c(C)cccc2C)c(C)c2ccccc21.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is VRSLSTZPQZHANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-5-22-17-12-7-6-11-16(17)15(4)19(22)20(23)21-18-13(2)9-8-10-14(18)3/h6-12H,5H2,1-4H3,(H,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide?
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110501475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).