1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide

C24H30N2O2 — CID 154003209

IUPAC1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N(C2CCCC2)C2CCCC2)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C24H30N2O2/c25-22(27)24(16-14-19(15-17-24)18-8-2-1-3-9-18)23(28)26(20-10-4-5-11-20)21-12-6-7-13-21/h1-3,8-9,14-16,20-21H,4-7,10-13,17H2,(H2,25,27)
InChIKeyORRUXHNPIGEERB-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.22
Rot. Bonds5

About 1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide

1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide (PubChem CID 154003209) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide
PubChem CID154003209
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N(C2CCCC2)C2CCCC2)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C24H30N2O2/c25-22(27)24(16-14-19(15-17-24)18-8-2-1-3-9-18)23(28)26(20-10-4-5-11-20)21-12-6-7-13-21/h1-3,8-9,14-16,20-21H,4-7,10-13,17H2,(H2,25,27)
InChIKeyORRUXHNPIGEERB-UHFFFAOYSA-N
XLogP4.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide (CID 154003209) is 1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide is NC(=O)C1(C(=O)N(C2CCCC2)C2CCCC2)C=CC(c2ccccc2)=CC1.
What is the InChIKey of 1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide?
The InChIKey is ORRUXHNPIGEERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c25-22(27)24(16-14-19(15-17-24)18-8-2-1-3-9-18)23(28)26(20-10-4-5-11-20)21-12-6-7-13-21/h1-3,8-9,14-16,20-21H,4-7,10-13,17H2,(H2,25,27).
What are the key properties of 1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide?
1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dicyclopentyl-4-phenylcyclohexa-2,4-diene-1,1-dicarboxamide is sourced from PubChem (CID 154003209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).