1-(benzylideneamino)-3-(4-methoxyphenyl)urea

C15H15N3O2 — CID 154302769

IUPAC1-(benzylideneamino)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2/c1-20-14-9-7-13(8-10-14)17-15(19)18-16-11-12-5-3-2-4-6-12/h2-11H,1H3,(H2,17,18,19)
InChIKeyBMFQNSGEIAZOEX-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.85
Rot. Bonds4

About 1-(benzylideneamino)-3-(4-methoxyphenyl)urea

1-(benzylideneamino)-3-(4-methoxyphenyl)urea (PubChem CID 154302769) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(benzylideneamino)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(benzylideneamino)-3-(4-methoxyphenyl)urea
PubChem CID154302769
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(benzylideneamino)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2/c1-20-14-9-7-13(8-10-14)17-15(19)18-16-11-12-5-3-2-4-6-12/h2-11H,1H3,(H2,17,18,19)
InChIKeyBMFQNSGEIAZOEX-UHFFFAOYSA-N
XLogP2.85
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.85
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'-(benzylideneamino)-N-(4-methoxyphenyl)propanediamide
CID 5156637
1-(4-butoxyphenyl)-3-[(4-methoxyphenyl)methylideneamino]urea
CID 19165743
1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
CID 10243365
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 124649475
[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
CID 5406978
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
CID 807471
4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6896328

Frequently Asked Questions

What is the IUPAC name of 1-(benzylideneamino)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(benzylideneamino)-3-(4-methoxyphenyl)urea (CID 154302769) is 1-(benzylideneamino)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(benzylideneamino)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(benzylideneamino)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NN=Cc2ccccc2)cc1.
What is the InChIKey of 1-(benzylideneamino)-3-(4-methoxyphenyl)urea?
The InChIKey is BMFQNSGEIAZOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-14-9-7-13(8-10-14)17-15(19)18-16-11-12-5-3-2-4-6-12/h2-11H,1H3,(H2,17,18,19).
What are the key properties of 1-(benzylideneamino)-3-(4-methoxyphenyl)urea?
1-(benzylideneamino)-3-(4-methoxyphenyl)urea has a molecular weight of 269.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 154302769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).