1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea

C16H17N3O — CID 5407232

IUPAC1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea
SMILESC/C(=N/NC(=O)Nc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H17N3O/c1-12-8-10-14(11-9-12)13(2)18-19-16(20)17-15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,17,19,20)/b18-13-
InChIKeyOOBSQOAYNWUUDX-AQTBWJFISA-N
MW267.33 g/mol
LogP3.54
Rot. Bonds3

About 1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea

1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea (PubChem CID 5407232) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea
PubChem CID5407232
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea
SMILESC/C(=N/NC(=O)Nc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H17N3O/c1-12-8-10-14(11-9-12)13(2)18-19-16(20)17-15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,17,19,20)/b18-13-
InChIKeyOOBSQOAYNWUUDX-AQTBWJFISA-N
XLogP3.54
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 ≤ 53.54
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

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CID 712790
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1-phenyl-3-[(E)-1-phenylhexylideneamino]urea
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1-(m-Tolyl)-3-(1-phenylpropylideneamino)thiourea
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4-methyl-2-pentanone N-phenylsemicarbazone
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1-[(E)-1-(4-methylphenyl)propylideneamino]-3-phenylthiourea
CID 53358421
1-(Cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea
CID 578299
1-Phenylethanone N-phenylsemicarbazone
CID 9584792
1-(3-aminophenyl)ethanone N-(3-methylphenyl)thiosemicarbazone
CID 5390202
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CID 5406562
2-methyl-1-phenyl-1-propanone N-phenylsemicarbazone
CID 5411019

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea?
The IUPAC name of 1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea (CID 5407232) is 1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea is C/C(=N/NC(=O)Nc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea?
The InChIKey is OOBSQOAYNWUUDX-AQTBWJFISA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-8-10-14(11-9-12)13(2)18-19-16(20)17-15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,17,19,20)/b18-13-.
What are the key properties of 1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea?
1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea has a molecular weight of 267.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea is sourced from PubChem (CID 5407232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).