ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate

C18H20N2O4 — CID 6902439

IUPACethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C18H20N2O4/c1-3-23-18(21)20-19-12-15-9-10-16(17(11-15)22-2)24-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,20,21)/b19-12+
InChIKeyFSRLFENXEGBYNI-XDHOZWIPSA-N
MW328.37 g/mol
LogP3.35
Rot. Bonds7

About ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate

ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate (PubChem CID 6902439) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
PubChem CID6902439
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C18H20N2O4/c1-3-23-18(21)20-19-12-15-9-10-16(17(11-15)22-2)24-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,20,21)/b19-12+
InChIKeyFSRLFENXEGBYNI-XDHOZWIPSA-N
XLogP3.35
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.35
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

ethyl N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902975
ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 2590100
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
N'-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6910290
2-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide
CID 5058487
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
methyl N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]carbamate
CID 9075501
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 5426310
2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4167953

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate (CID 6902439) is ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate is CCOC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate?
The InChIKey is FSRLFENXEGBYNI-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-23-18(21)20-19-12-15-9-10-16(17(11-15)22-2)24-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,20,21)/b19-12+.
What are the key properties of ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate?
ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate has a molecular weight of 328.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 6902439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).