trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide

C18H18N2O — CID 7124308

IUPACtrans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-13(14-8-4-2-5-9-14)19-20-18(21)17-12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3,(H,20,21)/b19-13+/t16-,17+/m0/s1
InChIKeyJXUXFHOGOOEHQR-IQXDWNFHSA-N
MW278.36 g/mol
LogP3.33
Rot. Bonds4

About trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide

trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide (PubChem CID 7124308) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide
PubChem CID7124308
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Nametrans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-13(14-8-4-2-5-9-14)19-20-18(21)17-12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3,(H,20,21)/b19-13+/t16-,17+/m0/s1
InChIKeyJXUXFHOGOOEHQR-IQXDWNFHSA-N
XLogP3.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.33
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)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide (CID 7124308) is trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide is C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide?
The InChIKey is JXUXFHOGOOEHQR-IQXDWNFHSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(14-8-4-2-5-9-14)19-20-18(21)17-12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3,(H,20,21)/b19-13+/t16-,17+/m0/s1.
What are the key properties of trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-phenyl-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 7124308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).