methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate

C11H14N2O4 — CID 2643022

IUPACmethyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
SMILESCCOc1cccc(C=NNC(=O)OC)c1O
InChIInChI=1S/C11H14N2O4/c1-3-17-9-6-4-5-8(10(9)14)7-12-13-11(15)16-2/h4-7,14H,3H2,1-2H3,(H,13,15)
InChIKeyBTEPQQKPFCTRJK-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.48
Rot. Bonds4

About methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate

methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate (PubChem CID 2643022) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
PubChem CID2643022
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
SMILESCCOc1cccc(C=NNC(=O)OC)c1O
InChIInChI=1S/C11H14N2O4/c1-3-17-9-6-4-5-8(10(9)14)7-12-13-11(15)16-2/h4-7,14H,3H2,1-2H3,(H,13,15)
InChIKeyBTEPQQKPFCTRJK-UHFFFAOYSA-N
XLogP1.48
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide
CID 3536495
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 139083037
4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 1356754
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135738394
2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 136787439
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136720788

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate (CID 2643022) is methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate is CCOc1cccc(C=NNC(=O)OC)c1O.
What is the InChIKey of methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate?
The InChIKey is BTEPQQKPFCTRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-17-9-6-4-5-8(10(9)14)7-12-13-11(15)16-2/h4-7,14H,3H2,1-2H3,(H,13,15).
What are the key properties of methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate?
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate has a molecular weight of 238.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 2643022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).