N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide

C22H30N2O2 — CID 108959421

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCC1Cc2ccccc2N1C(=O)C(C)(C)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C22H30N2O2/c1-16-15-18-11-7-8-12-19(18)24(16)21(26)22(2,3)20(25)23-14-13-17-9-5-4-6-10-17/h7-9,11-12,16H,4-6,10,13-15H2,1-3H3,(H,23,25)
InChIKeyLYYDEWXEZRVPBE-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.00
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (PubChem CID 108959421) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
PubChem CID108959421
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCC1Cc2ccccc2N1C(=O)C(C)(C)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C22H30N2O2/c1-16-15-18-11-7-8-12-19(18)24(16)21(26)22(2,3)20(25)23-14-13-17-9-5-4-6-10-17/h7-9,11-12,16H,4-6,10,13-15H2,1-3H3,(H,23,25)
InChIKeyLYYDEWXEZRVPBE-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108960333
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159771
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113182433
N-(4-tert-butylphenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108968686
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109364612
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108959319
N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108970085
N-(4-chlorophenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959378
N-benzyl-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108966235
N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959402

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (CID 108959421) is N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is CC1Cc2ccccc2N1C(=O)C(C)(C)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The InChIKey is LYYDEWXEZRVPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16-15-18-11-7-8-12-19(18)24(16)21(26)22(2,3)20(25)23-14-13-17-9-5-4-6-10-17/h7-9,11-12,16H,4-6,10,13-15H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide has a molecular weight of 354.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108959421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).