2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide

C29H30N2O2 — CID 19133723

IUPAC2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CC=CCC1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H30N2O2/c1-22-12-8-11-19-27(22)30-28(32)25-17-9-10-18-26(25)29(33)31(20-23-13-4-2-5-14-23)21-24-15-6-3-7-16-24/h2-16,19,25-26H,17-18,20-21H2,1H3,(H,30,32)
InChIKeyZXXKFPLZBUOJGC-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.74
Rot. Bonds7

About 2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide

2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide (PubChem CID 19133723) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
PubChem CID19133723
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC Name2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CC=CCC1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H30N2O2/c1-22-12-8-11-19-27(22)30-28(32)25-17-9-10-18-26(25)29(33)31(20-23-13-4-2-5-14-23)21-24-15-6-3-7-16-24/h2-16,19,25-26H,17-18,20-21H2,1H3,(H,30,32)
InChIKeyZXXKFPLZBUOJGC-UHFFFAOYSA-N
XLogP5.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N,2-N-tribenzylcyclohex-4-ene-1,2-dicarboxamide
CID 19133731
2-[[6-(dimethylcarbamoyl)cyclohex-3-ene-1-carbonyl]amino]benzoic acid
CID 23474978
1,1-dibenzyl-3-(2-methylphenyl)thiourea
CID 8619937
(1S,6S)-3,4-dimethyl-6-[(2-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 842157
4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide
CID 109148653
6-[(2-ethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2865228
(1R,6R)-6-[(2-ethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 790829
(1S,6S)-6-[[3-[(2-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 27528421
(1S,6R)-6-[(2,6-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7109014
(1R,6S)-6-[[3-methyl-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6980110
6-[(2-acetylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 45330903
(1R,6R)-6-[(2,5-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 690367

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of 2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide (CID 19133723) is 2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for 2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for 2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide is Cc1ccccc1NC(=O)C1CC=CCC1C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is ZXXKFPLZBUOJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O2/c1-22-12-8-11-19-27(22)30-28(32)25-17-9-10-18-26(25)29(33)31(20-23-13-4-2-5-14-23)21-24-15-6-3-7-16-24/h2-16,19,25-26H,17-18,20-21H2,1H3,(H,30,32).
What are the key properties of 2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide?
2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 438.57 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibenzyl-1-N-(2-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 19133723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).