ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate

C11H14N2O3 — CID 5408903

IUPACethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1cccc(OC)c1
InChIInChI=1S/C11H14N2O3/c1-3-16-11(14)13-12-8-9-5-4-6-10(7-9)15-2/h4-8H,3H2,1-2H3,(H,13,14)/b12-8-
InChIKeyKBWRBCXYDVZSJF-WQLSENKSSA-N
MW222.24 g/mol
LogP1.78
Rot. Bonds4

About ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate

ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate (PubChem CID 5408903) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate
PubChem CID5408903
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1cccc(OC)c1
InChIInChI=1S/C11H14N2O3/c1-3-16-11(14)13-12-8-9-5-4-6-10(7-9)15-2/h4-8H,3H2,1-2H3,(H,13,14)/b12-8-
InChIKeyKBWRBCXYDVZSJF-WQLSENKSSA-N
XLogP1.78
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate (CID 5408903) is ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate is CCOC(=O)N/N=C\c1cccc(OC)c1.
What is the InChIKey of ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate?
The InChIKey is KBWRBCXYDVZSJF-WQLSENKSSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-16-11(14)13-12-8-9-5-4-6-10(7-9)15-2/h4-8H,3H2,1-2H3,(H,13,14)/b12-8-.
What are the key properties of ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate?
ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate has a molecular weight of 222.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-(3-methoxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 5408903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).