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

C16H17N3O2 — CID 110338795

IUPAC[(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea
SMILESCc1ccccc1COc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C16H17N3O2/c1-12-4-2-3-5-14(12)11-21-15-8-6-13(7-9-15)10-18-19-16(17)20/h2-10H,11H2,1H3,(H3,17,19,20)/b18-10+
InChIKeyFFEPJFHCKLWSNK-VCHYOVAHSA-N
MW283.33 g/mol
LogP2.58
Rot. Bonds5

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

[(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 110338795) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID110338795
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name[(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea
SMILESCc1ccccc1COc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C16H17N3O2/c1-12-4-2-3-5-14(12)11-21-15-8-6-13(7-9-15)10-18-19-16(17)20/h2-10H,11H2,1H3,(H3,17,19,20)/b18-10+
InChIKeyFFEPJFHCKLWSNK-VCHYOVAHSA-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

[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 900227
N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 1001906
[(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea
CID 139235234
[(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea
CID 127244163
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 3303187
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5416165
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
CID 6022391
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
2-[(2-methylphenyl)methylsulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6288693

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea (CID 110338795) is [(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea is Cc1ccccc1COc1ccc(/C=N/NC(N)=O)cc1.
What is the InChIKey of [(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is FFEPJFHCKLWSNK-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-4-2-3-5-14(12)11-21-15-8-6-13(7-9-15)10-18-19-16(17)20/h2-10H,11H2,1H3,(H3,17,19,20)/b18-10+.
What are the key properties of [(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea?
[(E)-[4-[(2-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 [(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 110338795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).