7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide

C30H32N2O3 — CID 58526853

IUPAC7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide
SMILESCc1cccc(CCNC(=O)c2ccc3c4c(ccc(C)c24)C(=O)N(C2CCC(C)CC2)C3=O)c1
InChIInChI=1S/C30H32N2O3/c1-18-7-10-22(11-8-18)32-29(34)24-12-9-20(3)26-23(13-14-25(27(24)26)30(32)35)28(33)31-16-15-21-6-4-5-19(2)17-21/h4-6,9,12-14,17-18,22H,7-8,10-11,15-16H2,1-3H3,(H,31,33)
InChIKeyFFHHTOLPYXAVAL-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.60
Rot. Bonds5

About 7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide

7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide (PubChem CID 58526853) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide.

Molecular Properties

Compound Name7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide
PubChem CID58526853
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide
SMILESCc1cccc(CCNC(=O)c2ccc3c4c(ccc(C)c24)C(=O)N(C2CCC(C)CC2)C3=O)c1
InChIInChI=1S/C30H32N2O3/c1-18-7-10-22(11-8-18)32-29(34)24-12-9-20(3)26-23(13-14-25(27(24)26)30(32)35)28(33)31-16-15-21-6-4-5-19(2)17-21/h4-6,9,12-14,17-18,22H,7-8,10-11,15-16H2,1-3H3,(H,31,33)
InChIKeyFFHHTOLPYXAVAL-UHFFFAOYSA-N
XLogP5.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-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

4-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentene-1-carboxamide
CID 163837102
1-(4-methylcyclohexyl)-2-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 141088853
2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62315224
1,3-dioxo-2-phenyl-7-(2-phenylethylcarbamoyl)benzo[de]isoquinoline-6-carboxylic acid
CID 66810029
6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59469708
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
1-(aminomethyl)-4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115442067
N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60611627
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
2-methyl-N-[2-(3-methylphenyl)ethyl]-5-nitrobenzamide
CID 60611649
4-[hydroxy-[2-(3-methylphenyl)ethylamino]methyl]-8-[2-(3-methylphenyl)ethylcarbamoyl]naphthalene-1,5-dicarboxylic acid
CID 123770692
1-[(3S)-1,1-dioxothiolan-3-yl]-N-[2-(3-methylphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 52506814

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide?
The IUPAC name of 7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide (CID 58526853) is 7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide.
What is the SMILES notation for 7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide?
The canonical SMILES for 7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide is Cc1cccc(CCNC(=O)c2ccc3c4c(ccc(C)c24)C(=O)N(C2CCC(C)CC2)C3=O)c1.
What is the InChIKey of 7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide?
The InChIKey is FFHHTOLPYXAVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-18-7-10-22(11-8-18)32-29(34)24-12-9-20(3)26-23(13-14-25(27(24)26)30(32)35)28(33)31-16-15-21-6-4-5-19(2)17-21/h4-6,9,12-14,17-18,22H,7-8,10-11,15-16H2,1-3H3,(H,31,33).
What are the key properties of 7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide?
7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-methylcyclohexyl)-N-[2-(3-methylphenyl)ethyl]-1,3-dioxobenzo[de]isoquinoline-6-carboxamide is sourced from PubChem (CID 58526853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).