(4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate

C16H16N2O4 — CID 135510348

IUPAC(4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate
SMILESCOc1ccc(COC(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-21-15-8-4-13(5-9-15)11-22-16(20)18-17-10-12-2-6-14(19)7-3-12/h2-10,19H,11H2,1H3,(H,18,20)/b17-10+
InChIKeyLEXUDEGXTNXGPR-LICLKQGHSA-N
MW300.31 g/mol
LogP2.66
Rot. Bonds5

About (4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate

(4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate (PubChem CID 135510348) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate
PubChem CID135510348
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate
SMILESCOc1ccc(COC(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-21-15-8-4-13(5-9-15)11-22-16(20)18-17-10-12-2-6-14(19)7-3-12/h2-10,19H,11H2,1H3,(H,18,20)/b17-10+
InChIKeyLEXUDEGXTNXGPR-LICLKQGHSA-N
XLogP2.66
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one
CID 583958
ethyl (2Z)-2-(4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237296
methyl (2Z)-2-(2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237329
ethyl (2Z)-2-(2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237330
Ethyl 2-(3-hydroxy-4-methoxybenzylidene)hydrazine-1-carboxylate
CID 6861615
N-[(1E)-2-(4-phenoxyphenyl)-1-azavinyl]methoxycarboxamide
CID 6904591
ethyl N-[(4-phenoxyphenyl)methylideneamino]carbamate
CID 9677991
methyl (2Z)-2-(4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237294
Tert-butyl-2-(4-hydroxybenzylidene)hydrazinecarboxylate
CID 135480563
ethyl (2Z)-2-(3-methoxy-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237462
Ethyl 2-(2,4-Dihydroxybenzylidene)Hydrazinecarboxylate
CID 135478858
Benzyl-2-(4-hydroxybenzylidene)hydrazinecarboxylate
CID 135496292

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate (CID 135510348) is (4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate is COc1ccc(COC(=O)N/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate?
The InChIKey is LEXUDEGXTNXGPR-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-15-8-4-13(5-9-15)11-22-16(20)18-17-10-12-2-6-14(19)7-3-12/h2-10,19H,11H2,1H3,(H,18,20)/b17-10+.
What are the key properties of (4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate?
(4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate has a molecular weight of 300.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[(E)-(4-hydroxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 135510348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).