1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide

C22H22N2O2 — CID 163938598

IUPAC1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide
SMILESCN(C(=O)C1=CC(C(=O)N(C)c2ccccc2)CC=C1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-23(19-12-5-3-6-13-19)21(25)17-10-9-11-18(16-17)22(26)24(2)20-14-7-4-8-15-20/h3-10,12-16,18H,11H2,1-2H3
InChIKeyROZXBTGSHJIFQO-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.81
Rot. Bonds4

About 1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide

1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide (PubChem CID 163938598) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide
PubChem CID163938598
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide
SMILESCN(C(=O)C1=CC(C(=O)N(C)c2ccccc2)CC=C1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-23(19-12-5-3-6-13-19)21(25)17-10-9-11-18(16-17)22(26)24(2)20-14-7-4-8-15-20/h3-10,12-16,18H,11H2,1-2H3
InChIKeyROZXBTGSHJIFQO-UHFFFAOYSA-N
XLogP3.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
CID 92533966
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CID 134109031
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 110649635
5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
CID 143180347
1-N-methyl-1-N,4-N-diphenylcyclohepta-2,4,7-triene-1,4-dicarboxamide
CID 144544385
N-methyl-N-phenyl-6-propan-2-ylpyridazine-3-carboxamide
CID 113200408
N,6-dimethyl-N-phenylpiperidine-3-carboxamide
CID 24699360
2-N,5-N-dimethyl-2-N,5-N-diphenylfuran-2,5-dicarboxamide
CID 154862775
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
N,2-dimethyl-N-phenylbenzamide
CID 5222383
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide (CID 163938598) is 1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide is CN(C(=O)C1=CC(C(=O)N(C)c2ccccc2)CC=C1)c1ccccc1.
What is the InChIKey of 1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide?
The InChIKey is ROZXBTGSHJIFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-23(19-12-5-3-6-13-19)21(25)17-10-9-11-18(16-17)22(26)24(2)20-14-7-4-8-15-20/h3-10,12-16,18H,11H2,1-2H3.
What are the key properties of 1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide?
1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide is sourced from PubChem (CID 163938598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).