methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate

C19H22N2O5 — CID 25251887

IUPACmethyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccccc1OCCCOc1ccccc1OC
InChIInChI=1S/C19H22N2O5/c1-23-17-10-5-6-11-18(17)26-13-7-12-25-16-9-4-3-8-15(16)14-20-21-19(22)24-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,21,22)/b20-14+
InChIKeyOBWGUCGIOFORLI-XSFVSMFZSA-N
MW358.39 g/mol
LogP3.23
Rot. Bonds9

About methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate

methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate (PubChem CID 25251887) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
PubChem CID25251887
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namemethyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1ccccc1OCCCOc1ccccc1OC
InChIInChI=1S/C19H22N2O5/c1-23-17-10-5-6-11-18(17)26-13-7-12-25-16-9-4-3-8-15(16)14-20-21-19(22)24-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,21,22)/b20-14+
InChIKeyOBWGUCGIOFORLI-XSFVSMFZSA-N
XLogP3.23
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.23
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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Related Compounds

methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7341340
2-(2-methoxyphenoxy)-N-[(E)-(2-propoxyphenyl)methylideneamino]acetamide
CID 6872121
[2-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] acetate
CID 25251494
N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 45146402
methyl 4-[[2-[(methoxycarbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2590045
[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea
CID 168532584
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 3660325
methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate
CID 3695535
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate (CID 25251887) is methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate is COC(=O)N/N=C/c1ccccc1OCCCOc1ccccc1OC.
What is the InChIKey of methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate?
The InChIKey is OBWGUCGIOFORLI-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-23-17-10-5-6-11-18(17)26-13-7-12-25-16-9-4-3-8-15(16)14-20-21-19(22)24-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,21,22)/b20-14+.
What are the key properties of methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate?
methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate has a molecular weight of 358.39 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate is sourced from PubChem (CID 25251887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).