N-benzyl-1-ethyl-3-methylindole-2-carboxamide

C19H20N2O — CID 110497374

IUPACN-benzyl-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)NCc2ccccc2)c(C)c2ccccc21
InChIInChI=1S/C19H20N2O/c1-3-21-17-12-8-7-11-16(17)14(2)18(21)19(22)20-13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,20,22)
InChIKeyHGHLBQYMJNJDJN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.90
Rot. Bonds4

About N-benzyl-1-ethyl-3-methylindole-2-carboxamide

N-benzyl-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110497374) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-benzyl-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110497374
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-benzyl-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)NCc2ccccc2)c(C)c2ccccc21
InChIInChI=1S/C19H20N2O/c1-3-21-17-12-8-7-11-16(17)14(2)18(21)19(22)20-13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,20,22)
InChIKeyHGHLBQYMJNJDJN-UHFFFAOYSA-N
XLogP3.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.90
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

1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide
CID 110497370
2-[[2-[(1-ethyl-3-methylindole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 110497425
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
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
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501443
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 110497558
1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501570
5-amino-2-[(1-ethyl-3-methylindole-2-carbonyl)amino]-5-oxopentanoic acid
CID 110497420
1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110501576

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of N-benzyl-1-ethyl-3-methylindole-2-carboxamide (CID 110497374) is N-benzyl-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for N-benzyl-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for N-benzyl-1-ethyl-3-methylindole-2-carboxamide is CCn1c(C(=O)NCc2ccccc2)c(C)c2ccccc21.
What is the InChIKey of N-benzyl-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is HGHLBQYMJNJDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-21-17-12-8-7-11-16(17)14(2)18(21)19(22)20-13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-1-ethyl-3-methylindole-2-carboxamide?
N-benzyl-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).