trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide

C18H18N2O2 — CID 73349388

IUPACtrans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C18H18N2O2/c1-12(14-8-5-9-15(21)10-14)19-20-18(22)17-11-16(17)13-6-3-2-4-7-13/h2-10,16-17,21H,11H2,1H3,(H,20,22)/b19-12+/t16-,17+/m0/s1
InChIKeyHTONCCQQHBTQJD-LJNFXEMMSA-N
MW294.35 g/mol
LogP3.04
Rot. Bonds4

About trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 73349388) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID73349388
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nametrans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C18H18N2O2/c1-12(14-8-5-9-15(21)10-14)19-20-18(22)17-11-16(17)13-6-3-2-4-7-13/h2-10,16-17,21H,11H2,1H3,(H,20,22)/b19-12+/t16-,17+/m0/s1
InChIKeyHTONCCQQHBTQJD-LJNFXEMMSA-N
XLogP3.04
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
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-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 73349388) is trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(O)c1.
What is the InChIKey of trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is HTONCCQQHBTQJD-LJNFXEMMSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(14-8-5-9-15(21)10-14)19-20-18(22)17-11-16(17)13-6-3-2-4-7-13/h2-10,16-17,21H,11H2,1H3,(H,20,22)/b19-12+/t16-,17+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 73349388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).