ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate

C20H22N2O4 — CID 25237295

IUPACethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1cccc(OC)c1OC/C=C/c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-25-20(23)22-21-15-17-12-7-13-18(24-2)19(17)26-14-8-11-16-9-5-4-6-10-16/h4-13,15H,3,14H2,1-2H3,(H,22,23)/b11-8+,21-15-
InChIKeyULEYHDTWKHZRPS-HDGFSFRLSA-N
MW354.41 g/mol
LogP3.87
Rot. Bonds8

About ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate

ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate (PubChem CID 25237295) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
PubChem CID25237295
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1cccc(OC)c1OC/C=C/c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-25-20(23)22-21-15-17-12-7-13-18(24-2)19(17)26-14-8-11-16-9-5-4-6-10-16/h4-13,15H,3,14H2,1-2H3,(H,22,23)/b11-8+,21-15-
InChIKeyULEYHDTWKHZRPS-HDGFSFRLSA-N
XLogP3.87
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(E)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide
CID 29057465
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
CID 5399199
ethyl 3-[2-methoxy-6-[(phenylhydrazinylidene)methyl]phenoxy]propanoate
CID 169383267
ethyl (E)-4-[2-[(Z)-hydroxyiminomethyl]-6-methoxyphenoxy]but-2-enoate
CID 87768726
N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509480
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612
ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7612645
N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 5111842
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate (CID 25237295) is ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate is CCOC(=O)N/N=C\c1cccc(OC)c1OC/C=C/c1ccccc1.
What is the InChIKey of ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The InChIKey is ULEYHDTWKHZRPS-HDGFSFRLSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-25-20(23)22-21-15-17-12-7-13-18(24-2)19(17)26-14-8-11-16-9-5-4-6-10-16/h4-13,15H,3,14H2,1-2H3,(H,22,23)/b11-8+,21-15-.
What are the key properties of ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate has a molecular weight of 354.41 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate is sourced from PubChem (CID 25237295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).