N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

C19H23NO2 — CID 110677532

IUPACN-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCc1cccc2c1C(C(=O)NCCC1=CCCCC1)CC2=O
InChIInChI=1S/C19H23NO2/c1-13-6-5-9-15-17(21)12-16(18(13)15)19(22)20-11-10-14-7-3-2-4-8-14/h5-7,9,16H,2-4,8,10-12H2,1H3,(H,20,22)
InChIKeyNAQLNLTVOLJUOS-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.67
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 110677532) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID110677532
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCc1cccc2c1C(C(=O)NCCC1=CCCCC1)CC2=O
InChIInChI=1S/C19H23NO2/c1-13-6-5-9-15-17(21)12-16(18(13)15)19(22)20-11-10-14-7-3-2-4-8-14/h5-7,9,16H,2-4,8,10-12H2,1H3,(H,20,22)
InChIKeyNAQLNLTVOLJUOS-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132821
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146362
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
methyl 7-methyl-3-oxo-1,2-dihydroindene-1-carboxylate
CID 121009125
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108959365
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130626
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108972518
1-N-[2-(cyclohexen-1-yl)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109132801
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2,3-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095612

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (CID 110677532) is N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is Cc1cccc2c1C(C(=O)NCCC1=CCCCC1)CC2=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is NAQLNLTVOLJUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-6-5-9-15-17(21)12-16(18(13)15)19(22)20-11-10-14-7-3-2-4-8-14/h5-7,9,16H,2-4,8,10-12H2,1H3,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.67, 4 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]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 110677532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).