(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide

C22H24N2O2 — CID 92533966

IUPAC(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
SMILESCN(C(=O)[C@H]1CC=CC[C@H]1C(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-23(17-11-5-3-6-12-17)21(25)19-15-9-10-16-20(19)22(26)24(2)18-13-7-4-8-14-18/h3-14,19-20H,15-16H2,1-2H3/t19-,20+
InChIKeyQHCGYQRSVQQTTO-BGYRXZFFSA-N
MW348.45 g/mol
LogP3.89
Rot. Bonds4

About (1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide

(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide (PubChem CID 92533966) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
PubChem CID92533966
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
SMILESCN(C(=O)[C@H]1CC=CC[C@H]1C(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-23(17-11-5-3-6-12-17)21(25)19-15-9-10-16-20(19)22(26)24(2)18-13-7-4-8-14-18/h3-14,19-20H,15-16H2,1-2H3/t19-,20+
InChIKeyQHCGYQRSVQQTTO-BGYRXZFFSA-N
XLogP3.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-6-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 107734001
(1S,6R)-6-[(3-fluorophenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962361
(1S,6R)-6-[(3-methoxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962351
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
1-N,3-N-dimethyl-1-N,3-N-diphenylcyclohexa-1,5-diene-1,3-dicarboxamide
CID 163938598
(1S,6R)-6-[(2-methoxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962350
6-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2970022
2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139590
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-methyl-N-phenylacetamide
CID 7952272
(1R,6R)-6-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6977837
1-N-methyl-2-N-(2-phenoxyphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141291
(1S,6S)-6-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6977834

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of (1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide (CID 92533966) is (1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for (1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for (1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide is CN(C(=O)[C@H]1CC=CC[C@H]1C(=O)N(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is QHCGYQRSVQQTTO-BGYRXZFFSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-23(17-11-5-3-6-12-17)21(25)19-15-9-10-16-20(19)22(26)24(2)18-13-7-4-8-14-18/h3-14,19-20H,15-16H2,1-2H3/t19-,20+.
What are the key properties of (1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide?
(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 92533966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).