methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate

C12H18N2O3 — CID 18532072

IUPACmethane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
SMILESC.CCOc1ccc(/C=N/NC(=O)OC)cc1
InChIInChI=1S/C11H14N2O3.CH4/c1-3-16-10-6-4-9(5-7-10)8-12-13-11(14)15-2;/h4-8H,3H2,1-2H3,(H,13,14);1H4/b12-8+;
InChIKeyKGKDCPFOUBGPPI-MXZHIVQLSA-N
MW238.29 g/mol
LogP2.41
Rot. Bonds4

About methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate

methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate (PubChem CID 18532072) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
PubChem CID18532072
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
SMILESC.CCOc1ccc(/C=N/NC(=O)OC)cc1
InChIInChI=1S/C11H14N2O3.CH4/c1-3-16-10-6-4-9(5-7-10)8-12-13-11(14)15-2;/h4-8H,3H2,1-2H3,(H,13,14);1H4/b12-8+;
InChIKeyKGKDCPFOUBGPPI-MXZHIVQLSA-N
XLogP2.41
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.41
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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Related Compounds

[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
methyl N-[[4-(cyclopropylmethoxy)phenyl]methylideneamino]carbamate
CID 54389739
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide
CID 21212730
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 1280148
2-cyano-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 2806400
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677

Frequently Asked Questions

What is the IUPAC name of methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate?
The IUPAC name of methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate (CID 18532072) is methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate?
The canonical SMILES for methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate is C.CCOc1ccc(/C=N/NC(=O)OC)cc1.
What is the InChIKey of methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate?
The InChIKey is KGKDCPFOUBGPPI-MXZHIVQLSA-N. The full InChI is InChI=1S/C11H14N2O3.CH4/c1-3-16-10-6-4-9(5-7-10)8-12-13-11(14)15-2;/h4-8H,3H2,1-2H3,(H,13,14);1H4/b12-8+;.
What are the key properties of methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate?
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate has a molecular weight of 238.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 18532072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).