[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane

C11H17N3O2 — CID 18532062

IUPAC[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
SMILESC.CCOc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C10H13N3O2.CH4/c1-2-15-9-5-3-8(4-6-9)7-12-13-10(11)14;/h3-7H,2H2,1H3,(H3,11,13,14);1H4/b12-7+;
InChIKeyVMSHRPFHIMDXKC-RRAJOLSVSA-N
MW223.28 g/mol
LogP1.72
Rot. Bonds4

About [(E)-(4-ethoxyphenyl)methylideneamino]urea;methane

[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane (PubChem CID 18532062) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [(E)-(4-ethoxyphenyl)methylideneamino]urea;methane.

Molecular Properties

Compound Name[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
PubChem CID18532062
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
SMILESC.CCOc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C10H13N3O2.CH4/c1-2-15-9-5-3-8(4-6-9)7-12-13-10(11)14;/h3-7H,2H2,1H3,(H3,11,13,14);1H4/b12-7+;
InChIKeyVMSHRPFHIMDXKC-RRAJOLSVSA-N
XLogP1.72
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[4-[(carbamoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 3742555
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide
CID 21212730
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 157053375
[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 900227
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-ethoxyphenyl)methylideneamino]urea;methane?
The IUPAC name of [(E)-(4-ethoxyphenyl)methylideneamino]urea;methane (CID 18532062) is [(E)-(4-ethoxyphenyl)methylideneamino]urea;methane.
What is the SMILES notation for [(E)-(4-ethoxyphenyl)methylideneamino]urea;methane?
The canonical SMILES for [(E)-(4-ethoxyphenyl)methylideneamino]urea;methane is C.CCOc1ccc(/C=N/NC(N)=O)cc1.
What is the InChIKey of [(E)-(4-ethoxyphenyl)methylideneamino]urea;methane?
The InChIKey is VMSHRPFHIMDXKC-RRAJOLSVSA-N. The full InChI is InChI=1S/C10H13N3O2.CH4/c1-2-15-9-5-3-8(4-6-9)7-12-13-10(11)14;/h3-7H,2H2,1H3,(H3,11,13,14);1H4/b12-7+;.
What are the key properties of [(E)-(4-ethoxyphenyl)methylideneamino]urea;methane?
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane has a molecular weight of 223.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-ethoxyphenyl)methylideneamino]urea;methane is sourced from PubChem (CID 18532062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).