1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea

C16H17N3O3 — CID 792835

IUPAC1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
SMILESCOc1ccc(C=NNC(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C16H17N3O3/c1-21-14-9-8-12(15(10-14)22-2)11-17-19-16(20)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyATYRINXFIVCOTF-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.86
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea

1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea (PubChem CID 792835) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
PubChem CID792835
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
SMILESCOc1ccc(C=NNC(=O)Nc2ccccc2)c(OC)c1
InChIInChI=1S/C16H17N3O3/c1-21-14-9-8-12(15(10-14)22-2)11-17-19-16(20)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyATYRINXFIVCOTF-UHFFFAOYSA-N
XLogP2.86
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
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

1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea
CID 3318003
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide
CID 6262653
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 5404431
(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
CID 92856946
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3455100
N-[4-[[(2,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 74905812
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 6042268
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea (CID 792835) is 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea is COc1ccc(C=NNC(=O)Nc2ccccc2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea?
The InChIKey is ATYRINXFIVCOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-14-9-8-12(15(10-14)22-2)11-17-19-16(20)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea?
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea has a molecular weight of 299.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea is sourced from PubChem (CID 792835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).