trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide

C24H28N2O — CID 73349390

IUPACtrans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H28N2O/c1-17(18-12-14-20(15-13-18)19-8-4-2-5-9-19)25-26-24(27)23-16-22(23)21-10-6-3-7-11-21/h3,6-7,10-15,19,22-23H,2,4-5,8-9,16H2,1H3,(H,26,27)/b25-17+/t22-,23+/m0/s1
InChIKeyXDQVGZCHPZGOBG-ZILGIFHJSA-N
MW360.50 g/mol
LogP5.38
Rot. Bonds5

About trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 73349390) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID73349390
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Nametrans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H28N2O/c1-17(18-12-14-20(15-13-18)19-8-4-2-5-9-19)25-26-24(27)23-16-22(23)21-10-6-3-7-11-21/h3,6-7,10-15,19,22-23H,2,4-5,8-9,16H2,1H3,(H,26,27)/b25-17+/t22-,23+/m0/s1
InChIKeyXDQVGZCHPZGOBG-ZILGIFHJSA-N
XLogP5.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.38
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 trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 73349390) is trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is XDQVGZCHPZGOBG-ZILGIFHJSA-N. The full InChI is InChI=1S/C24H28N2O/c1-17(18-12-14-20(15-13-18)19-8-4-2-5-9-19)25-26-24(27)23-16-22(23)21-10-6-3-7-11-21/h3,6-7,10-15,19,22-23H,2,4-5,8-9,16H2,1H3,(H,26,27)/b25-17+/t22-,23+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 73349390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).