methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate

C18H20N2O5 — CID 6883540

IUPACmethyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccccc1OCCOc1ccc(OC)cc1
InChIInChI=1S/C18H20N2O5/c1-22-15-7-9-16(10-8-15)24-11-12-25-17-6-4-3-5-14(17)13-19-20-18(21)23-2/h3-10,13H,11-12H2,1-2H3,(H,20,21)/b19-13+
InChIKeyHNVGWSFMBJIGDZ-CPNJWEJPSA-N
MW344.37 g/mol
LogP2.84
Rot. Bonds8

About methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate

methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate (PubChem CID 6883540) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate
PubChem CID6883540
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccccc1OCCOc1ccc(OC)cc1
InChIInChI=1S/C18H20N2O5/c1-22-15-7-9-16(10-8-15)24-11-12-25-17-6-4-3-5-14(17)13-19-20-18(21)23-2/h3-10,13H,11-12H2,1-2H3,(H,20,21)/b19-13+
InChIKeyHNVGWSFMBJIGDZ-CPNJWEJPSA-N
XLogP2.84
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate (CID 6883540) is methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate is COC(=O)N/N=C/c1ccccc1OCCOc1ccc(OC)cc1.
What is the InChIKey of methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate?
The InChIKey is HNVGWSFMBJIGDZ-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-22-15-7-9-16(10-8-15)24-11-12-25-17-6-4-3-5-14(17)13-19-20-18(21)23-2/h3-10,13H,11-12H2,1-2H3,(H,20,21)/b19-13+.
What are the key properties of methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate?
methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate has a molecular weight of 344.37 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylideneamino]carbamate is sourced from PubChem (CID 6883540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).