N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide

C21H28N2O2 — CID 113159771

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CCC1=CCCCC1)CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C21H28N2O2/c1-16-14-19-10-6-7-11-20(19)23(16)21(25)15-22(17(2)24)13-12-18-8-4-3-5-9-18/h6-8,10-11,16H,3-5,9,12-15H2,1-2H3
InChIKeyZWORKUKVUFIHQB-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.70
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide (PubChem CID 113159771) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
PubChem CID113159771
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CCC1=CCCCC1)CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C21H28N2O2/c1-16-14-19-10-6-7-11-20(19)23(16)21(25)15-22(17(2)24)13-12-18-8-4-3-5-9-18/h6-8,10-11,16H,3-5,9,12-15H2,1-2H3
InChIKeyZWORKUKVUFIHQB-UHFFFAOYSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108988104
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-methylpropyl)acetamide
CID 113158988
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108959421
N-cyclopentyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159384
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113159653
N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113121038
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160363
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113182433
N-(2-methoxyethyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113117047
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113116087
2-[3-hydroxybutyl(methyl)amino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 115665888
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)acetamide
CID 113167631

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide (CID 113159771) is N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide is CC(=O)N(CCC1=CCCCC1)CC(=O)N1c2ccccc2CC1C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
The InChIKey is ZWORKUKVUFIHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-14-19-10-6-7-11-20(19)23(16)21(25)15-22(17(2)24)13-12-18-8-4-3-5-9-18/h6-8,10-11,16H,3-5,9,12-15H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113159771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).