1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea

C16H17N3O — CID 5420606

IUPAC1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea
SMILESCc1cccc(/C=N\NC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C16H17N3O/c1-12-6-5-8-14(10-12)11-17-19-16(20)18-15-9-4-3-7-13(15)2/h3-11H,1-2H3,(H2,18,19,20)/b17-11-
InChIKeyVFAIRFZQLNLDJN-BOPFTXTBSA-N
MW267.33 g/mol
LogP3.46
Rot. Bonds3

About 1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea

1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea (PubChem CID 5420606) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea
PubChem CID5420606
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea
SMILESCc1cccc(/C=N\NC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C16H17N3O/c1-12-6-5-8-14(10-12)11-17-19-16(20)18-15-9-4-3-7-13(15)2/h3-11H,1-2H3,(H2,18,19,20)/b17-11-
InChIKeyVFAIRFZQLNLDJN-BOPFTXTBSA-N
XLogP3.46
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926819
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822085
1-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822279
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
1-[[3-bromo-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5234389
1-[(4-methyl-3-nitrophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926783
1-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5092049
1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5420664
1-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 6108849
1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 6065465
N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5024067

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea (CID 5420606) is 1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea is Cc1cccc(/C=N\NC(=O)Nc2ccccc2C)c1.
What is the InChIKey of 1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea?
The InChIKey is VFAIRFZQLNLDJN-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-6-5-8-14(10-12)11-17-19-16(20)18-15-9-4-3-7-13(15)2/h3-11H,1-2H3,(H2,18,19,20)/b17-11-.
What are the key properties of 1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea?
1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea has a molecular weight of 267.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea is sourced from PubChem (CID 5420606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).