[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea

C17H19N3O3 — CID 110340334

IUPAC[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
SMILESCOc1cccc(/C=N/NC(N)=O)c1OCc1ccc(C)cc1
InChIInChI=1S/C17H19N3O3/c1-12-6-8-13(9-7-12)11-23-16-14(10-19-20-17(18)21)4-3-5-15(16)22-2/h3-10H,11H2,1-2H3,(H3,18,20,21)/b19-10+
InChIKeyZCDQCSLDSUUTLP-VXLYETTFSA-N
MW313.36 g/mol
LogP2.58
Rot. Bonds6

About [(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea

[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 110340334) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID110340334
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
SMILESCOc1cccc(/C=N/NC(N)=O)c1OCc1ccc(C)cc1
InChIInChI=1S/C17H19N3O3/c1-12-6-8-13(9-7-12)11-23-16-14(10-19-20-17(18)21)4-3-5-15(16)22-2/h3-10H,11H2,1-2H3,(H3,18,20,21)/b19-10+
InChIKeyZCDQCSLDSUUTLP-VXLYETTFSA-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

[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 112538716
4-[[2-[(Z)-(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126193703
[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532736
[[3-methoxy-2-[3-(5-methyl-2-propan-2-ylphenoxy)propoxy]phenyl]methylideneamino]urea
CID 3614918
4-amino-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110514932
[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532739
2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110339182
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 5426310
1-[(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-3-methylthiourea
CID 4607886
4-[[2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126190416
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3336064
4-[[2-methoxy-6-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 126193154

Frequently Asked Questions

What is the IUPAC name of [(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea (CID 110340334) is [(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea is COc1cccc(/C=N/NC(N)=O)c1OCc1ccc(C)cc1.
What is the InChIKey of [(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is ZCDQCSLDSUUTLP-VXLYETTFSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-6-8-13(9-7-12)11-23-16-14(10-19-20-17(18)21)4-3-5-15(16)22-2/h3-10H,11H2,1-2H3,(H3,18,20,21)/b19-10+.
What are the key properties of [(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea?
[(E)-[3-methoxy-2-[(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 [(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 110340334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).