[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea

C10H13N3O3 — CID 5354158

IUPAC[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
SMILESCOc1ccc(/C=N\NC(N)=O)cc1OC
InChIInChI=1S/C10H13N3O3/c1-15-8-4-3-7(5-9(8)16-2)6-12-13-10(11)14/h3-6H,1-2H3,(H3,11,13,14)/b12-6-
InChIKeyPZGBQOUDZACWFL-SDQBBNPISA-N
MW223.23 g/mol
LogP0.71
Rot. Bonds4

About [(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea

[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea (PubChem CID 5354158) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is [(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
PubChem CID5354158
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
SMILESCOc1ccc(/C=N\NC(N)=O)cc1OC
InChIInChI=1S/C10H13N3O3/c1-15-8-4-3-7(5-9(8)16-2)6-12-13-10(11)14/h3-6H,1-2H3,(H3,11,13,14)/b12-6-
InChIKeyPZGBQOUDZACWFL-SDQBBNPISA-N
XLogP0.71
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
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

1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
CID 9017274
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 2588719
[(4-methoxy-3-prop-2-ynoxyphenyl)methylideneamino]urea
CID 168533701
[(E)-(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 6474566
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 5426310
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
CID 168533376

Frequently Asked Questions

What is the IUPAC name of [(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea (CID 5354158) is [(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea is COc1ccc(/C=N\NC(N)=O)cc1OC.
What is the InChIKey of [(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea?
The InChIKey is PZGBQOUDZACWFL-SDQBBNPISA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-8-4-3-7(5-9(8)16-2)6-12-13-10(11)14/h3-6H,1-2H3,(H3,11,13,14)/b12-6-.
What are the key properties of [(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea?
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea has a molecular weight of 223.23 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 5354158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).