[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea

C17H19N3O3 — CID 5426310

IUPAC[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
SMILESCOc1cc(/C=N\NC(N)=O)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C17H19N3O3/c1-12-3-5-13(6-4-12)11-23-15-8-7-14(9-16(15)22-2)10-19-20-17(18)21/h3-10H,11H2,1-2H3,(H3,18,20,21)/b19-10-
InChIKeyGNVFMIIUNZXBMJ-GRSHGNNSSA-N
MW313.36 g/mol
LogP2.58
Rot. Bonds6

About [(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea

[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 5426310) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID5426310
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
SMILESCOc1cc(/C=N\NC(N)=O)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C17H19N3O3/c1-12-3-5-13(6-4-12)11-23-15-8-7-14(9-16(15)22-2)10-19-20-17(18)21/h3-10H,11H2,1-2H3,(H3,18,20,21)/b19-10-
InChIKeyGNVFMIIUNZXBMJ-GRSHGNNSSA-N
XLogP2.58
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.58
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

[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 4508535
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532579
[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea
CID 74852654
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
2-(4-bromophenyl)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19061546
2-(4-fluorophenyl)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126229463
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 126308611
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
N-(3,4-dimethylphenyl)-N'-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 5126961
[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 900227
3-amino-N-[(Z)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110512172

Frequently Asked Questions

What is the IUPAC name of [(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea (CID 5426310) is [(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea is COc1cc(/C=N\NC(N)=O)ccc1OCc1ccc(C)cc1.
What is the InChIKey of [(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is GNVFMIIUNZXBMJ-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-3-5-13(6-4-12)11-23-15-8-7-14(9-16(15)22-2)10-19-20-17(18)21/h3-10H,11H2,1-2H3,(H3,18,20,21)/b19-10-.
What are the key properties of [(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea?
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea has a molecular weight of 313.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 5426310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).