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

C19H20N2O2 — CID 5409662

IUPACtrans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-13(14-8-10-16(23-2)11-9-14)20-21-19(22)18-12-17(18)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3,(H,21,22)/b20-13+/t17-,18+/m0/s1
InChIKeyQWAKBPPGUAGKLN-QDRDOIMASA-N
MW308.38 g/mol
LogP3.34
Rot. Bonds5

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

trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 5409662) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID5409662
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nametrans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-13(14-8-10-16(23-2)11-9-14)20-21-19(22)18-12-17(18)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3,(H,21,22)/b20-13+/t17-,18+/m0/s1
InChIKeyQWAKBPPGUAGKLN-QDRDOIMASA-N
XLogP3.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 5409662) is trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is COc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1.
What is the InChIKey of trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is QWAKBPPGUAGKLN-QDRDOIMASA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(14-8-10-16(23-2)11-9-14)20-21-19(22)18-12-17(18)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3,(H,21,22)/b20-13+/t17-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 5409662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).