1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea

C16H17N3O3 — CID 138112026

IUPAC1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea
SMILESCOc1ccc(C=NN(C(N)=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H17N3O3/c1-21-14-9-8-12(15(10-14)22-2)11-18-19(16(17)20)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,17,20)
InChIKeyPRPQITAYRXXDNA-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.62
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea

1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea (PubChem CID 138112026) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea
PubChem CID138112026
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea
SMILESCOc1ccc(C=NN(C(N)=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H17N3O3/c1-21-14-9-8-12(15(10-14)22-2)11-18-19(16(17)20)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,17,20)
InChIKeyPRPQITAYRXXDNA-UHFFFAOYSA-N
XLogP2.62
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2E)-2-(4-ethoxybenzylidene)-N-phenylhydrazinecarboxamide
CID 9556778
8-Amino-6-(2,4-dimethoxyphenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155519148
1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea
CID 5332482
4,5-Dihydro-(1H)-pyrazole derivative, 2l
CID 11529277
4-(2,4-Dimethoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5386458
1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea
CID 11709164
1-(2,6-dimethylphenyl)-3-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]urea
CID 77108052
(E)-4-((2,4-dimethoxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
CID 1281690
5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 2824984
(2E)-2-(2,4-dimethoxybenzylidene)-N-phenylhydrazinecarbothioamide
CID 7575255
5-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 9584665
3-(2,4-Dimethoxy-benzylidene-hydrazinocarbonyl)-N-(4-fluoro-phenyl)-propionamide
CID 9592497

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea (CID 138112026) is 1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea is COc1ccc(C=NN(C(N)=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea?
The InChIKey is PRPQITAYRXXDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-14-9-8-12(15(10-14)22-2)11-18-19(16(17)20)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,17,20).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea?
1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea has a molecular weight of 299.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methylideneamino]-1-phenylurea is sourced from PubChem (CID 138112026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).