1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide

C20H30N2O — CID 110497414

IUPAC1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)NC(C)(C)CC(C)(C)C)c(C)c2ccccc21
InChIInChI=1S/C20H30N2O/c1-8-22-16-12-10-9-11-15(16)14(2)17(22)18(23)21-20(6,7)13-19(3,4)5/h9-12H,8,13H2,1-7H3,(H,21,23)
InChIKeyXCJANKJONCHEPD-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.91
Rot. Bonds4

About 1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide

1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide (PubChem CID 110497414) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide
PubChem CID110497414
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)NC(C)(C)CC(C)(C)C)c(C)c2ccccc21
InChIInChI=1S/C20H30N2O/c1-8-22-16-12-10-9-11-15(16)14(2)17(22)18(23)21-20(6,7)13-19(3,4)5/h9-12H,8,13H2,1-7H3,(H,21,23)
InChIKeyXCJANKJONCHEPD-UHFFFAOYSA-N
XLogP4.91
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.91
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-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
2-[[2-[(1-ethyl-3-methylindole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 110497425
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
1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide
CID 110497370
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
5-amino-2-[(1-ethyl-3-methylindole-2-carbonyl)amino]-5-oxopentanoic acid
CID 110497420
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
1-butyl-N-(4-tert-butylphenyl)-3-methylindole-2-carboxamide
CID 110501283

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide (CID 110497414) is 1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide is CCn1c(C(=O)NC(C)(C)CC(C)(C)C)c(C)c2ccccc21.
What is the InChIKey of 1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide?
The InChIKey is XCJANKJONCHEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-8-22-16-12-10-9-11-15(16)14(2)17(22)18(23)21-20(6,7)13-19(3,4)5/h9-12H,8,13H2,1-7H3,(H,21,23).
What are the key properties of 1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide?
1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide is sourced from PubChem (CID 110497414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).