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

C16H17N3O2 — CID 900227

IUPAC[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
SMILESCc1ccc(COc2ccc(C=NNC(N)=O)cc2)cc1
InChIInChI=1S/C16H17N3O2/c1-12-2-4-14(5-3-12)11-21-15-8-6-13(7-9-15)10-18-19-16(17)20/h2-10H,11H2,1H3,(H3,17,19,20)
InChIKeyOPAANKAECICUEG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.58
Rot. Bonds5

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

[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 900227) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID900227
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
SMILESCc1ccc(COc2ccc(C=NNC(N)=O)cc2)cc1
InChIInChI=1S/C16H17N3O2/c1-12-2-4-14(5-3-12)11-21-15-8-6-13(7-9-15)10-18-19-16(17)20/h2-10H,11H2,1H3,(H3,17,19,20)
InChIKeyOPAANKAECICUEG-UHFFFAOYSA-N
XLogP2.58
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.58
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

N-(4-methylphenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3695690
4-amino-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 7650399
4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 78518160
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 75087369
[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 5426310
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 45054424
N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 6385994
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6149713
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide
CID 3709189
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 51061114
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 45054949

Frequently Asked Questions

What is the IUPAC name of [[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea (CID 900227) is [[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea is Cc1ccc(COc2ccc(C=NNC(N)=O)cc2)cc1.
What is the InChIKey of [[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is OPAANKAECICUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-2-4-14(5-3-12)11-21-15-8-6-13(7-9-15)10-18-19-16(17)20/h2-10H,11H2,1H3,(H3,17,19,20).
What are the key properties of [[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea?
[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea has a molecular weight of 283.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 900227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).