N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

C26H26N2O — CID 11835636

IUPACN-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)C1CC1(c1ccccc1)c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C26H26N2O/c1-18-14-15-19(2)23(16-18)20(3)27-28-25(29)24-17-26(24,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,24H,17H2,1-3H3,(H,28,29)/b27-20+
InChIKeyZRAIQYXQOKAVGG-NHFJDJAPSA-N
MW382.51 g/mol
LogP5.15
Rot. Bonds5

About N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 11835636) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID11835636
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC NameN-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)C1CC1(c1ccccc1)c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C26H26N2O/c1-18-14-15-19(2)23(16-18)20(3)27-28-25(29)24-17-26(24,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,24H,17H2,1-3H3,(H,28,29)/b27-20+
InChIKeyZRAIQYXQOKAVGG-NHFJDJAPSA-N
XLogP5.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (CID 11835636) is N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is C/C(=N\NC(=O)C1CC1(c1ccccc1)c1ccccc1)c1cc(C)ccc1C.
What is the InChIKey of N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is ZRAIQYXQOKAVGG-NHFJDJAPSA-N. The full InChI is InChI=1S/C26H26N2O/c1-18-14-15-19(2)23(16-18)20(3)27-28-25(29)24-17-26(24,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,24H,17H2,1-3H3,(H,28,29)/b27-20+.
What are the key properties of N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 11835636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).