[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea

C16H21N3O3 — CID 168532862

IUPAC[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea
SMILESC=CCOc1c(CC=C)cc(C=NNC(N)=O)cc1OCC
InChIInChI=1S/C16H21N3O3/c1-4-7-13-9-12(11-18-19-16(17)20)10-14(21-6-3)15(13)22-8-5-2/h4-5,9-11H,1-2,6-8H2,3H3,(H3,17,19,20)
InChIKeySKOZXFKRWNUNJW-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.38
Rot. Bonds9

About [(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea

[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea (PubChem CID 168532862) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea
PubChem CID168532862
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea
SMILESC=CCOc1c(CC=C)cc(C=NNC(N)=O)cc1OCC
InChIInChI=1S/C16H21N3O3/c1-4-7-13-9-12(11-18-19-16(17)20)10-14(21-6-3)15(13)22-8-5-2/h4-5,9-11H,1-2,6-8H2,3H3,(H3,17,19,20)
InChIKeySKOZXFKRWNUNJW-UHFFFAOYSA-N
XLogP2.38
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidenehydrazine
CID 168530223
[(3,5-dichloro-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 168532842
ethyl 2-[2-[2-[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624040
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]acetamide
CID 126020310
[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea
CID 168531915
[(E)-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]thiourea
CID 19618018
2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide
CID 57361228
[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]urea
CID 135851177
[(E)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 19617603
[(4-propan-2-yloxy-3-prop-2-enylphenyl)methylideneamino]urea
CID 168532903
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126238706
4-amino-N-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 9071121

Frequently Asked Questions

What is the IUPAC name of [(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea?
The IUPAC name of [(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea (CID 168532862) is [(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea.
What is the SMILES notation for [(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea?
The canonical SMILES for [(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea is C=CCOc1c(CC=C)cc(C=NNC(N)=O)cc1OCC.
What is the InChIKey of [(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea?
The InChIKey is SKOZXFKRWNUNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-7-13-9-12(11-18-19-16(17)20)10-14(21-6-3)15(13)22-8-5-2/h4-5,9-11H,1-2,6-8H2,3H3,(H3,17,19,20).
What are the key properties of [(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea?
[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea has a molecular weight of 303.36 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea is sourced from PubChem (CID 168532862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).