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

C17H22N2O — CID 110497379

IUPACN-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)NC2CCCC2)c(C)c2ccccc21
InChIInChI=1S/C17H22N2O/c1-3-19-15-11-7-6-10-14(15)12(2)16(19)17(20)18-13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeyLODFMDBLOITOCV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.64
Rot. Bonds3

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

N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110497379) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110497379
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)NC2CCCC2)c(C)c2ccccc21
InChIInChI=1S/C17H22N2O/c1-3-19-15-11-7-6-10-14(15)12(2)16(19)17(20)18-13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeyLODFMDBLOITOCV-UHFFFAOYSA-N
XLogP3.64
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.64
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

5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686
3-[2-(cyclohexylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 126476902
N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide
CID 110497414
(1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 110498748
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501570
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501443
2-[[2-[(1-ethyl-3-methylindole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 110497425
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
1-ethyl-N-(furan-2-ylmethyl)-3-methylindole-2-carboxamide
CID 110497370

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide (CID 110497379) is N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide is CCn1c(C(=O)NC2CCCC2)c(C)c2ccccc21.
What is the InChIKey of N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is LODFMDBLOITOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-19-15-11-7-6-10-14(15)12(2)16(19)17(20)18-13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide?
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).