[(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate

C18H19NO4 — CID 5410067

IUPAC[(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate
SMILESCOc1ccc(C/C(=N\OC(C)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO4/c1-13(20)23-19-18(15-6-10-17(22-3)11-7-15)12-14-4-8-16(21-2)9-5-14/h4-11H,12H2,1-3H3/b19-18+
InChIKeyRXSRFPGNRZUKFX-VHEBQXMUSA-N
MW313.35 g/mol
LogP3.21
Rot. Bonds6

About [(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate

[(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate (PubChem CID 5410067) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate
PubChem CID5410067
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate
SMILESCOc1ccc(C/C(=N\OC(C)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO4/c1-13(20)23-19-18(15-6-10-17(22-3)11-7-15)12-14-4-8-16(21-2)9-5-14/h4-11H,12H2,1-3H3/b19-18+
InChIKeyRXSRFPGNRZUKFX-VHEBQXMUSA-N
XLogP3.21
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 [(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate?
The IUPAC name of [(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate (CID 5410067) is [(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate.
What is the SMILES notation for [(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate?
The canonical SMILES for [(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate is COc1ccc(C/C(=N\OC(C)=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate?
The InChIKey is RXSRFPGNRZUKFX-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13(20)23-19-18(15-6-10-17(22-3)11-7-15)12-14-4-8-16(21-2)9-5-14/h4-11H,12H2,1-3H3/b19-18+.
What are the key properties of [(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate?
[(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate has a molecular weight of 313.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,2-bis(4-methoxyphenyl)ethylideneamino] acetate is sourced from PubChem (CID 5410067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).