[(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea

C11H15N3O3 — CID 121221771

IUPAC[(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea
SMILESCOc1cc(OC)cc(/C(C)=N/NC(N)=O)c1
InChIInChI=1S/C11H15N3O3/c1-7(13-14-11(12)15)8-4-9(16-2)6-10(5-8)17-3/h4-6H,1-3H3,(H3,12,14,15)/b13-7+
InChIKeyJJKDTWXQRFMRQQ-NTUHNPAUSA-N
MW237.26 g/mol
LogP1.10
Rot. Bonds4

About [(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea

[(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea (PubChem CID 121221771) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea.

Molecular Properties

Compound Name[(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea
PubChem CID121221771
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea
SMILESCOc1cc(OC)cc(/C(C)=N/NC(N)=O)c1
InChIInChI=1S/C11H15N3O3/c1-7(13-14-11(12)15)8-4-9(16-2)6-10(5-8)17-3/h4-6H,1-3H3,(H3,12,14,15)/b13-7+
InChIKeyJJKDTWXQRFMRQQ-NTUHNPAUSA-N
XLogP1.10
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.10
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'}

Analyze [(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea
CID 6003302
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
[(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]urea
CID 137320304
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
1,3,5-trimethoxybenzene;urea
CID 174919725
4-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]benzoic acid
CID 155250087
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
(NZ)-N-[1-(3,5-dimethoxyphenyl)ethylidene]hydroxylamine
CID 96551764
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea?
The IUPAC name of [(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea (CID 121221771) is [(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea.
What is the SMILES notation for [(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea?
The canonical SMILES for [(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea is COc1cc(OC)cc(/C(C)=N/NC(N)=O)c1.
What is the InChIKey of [(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea?
The InChIKey is JJKDTWXQRFMRQQ-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(13-14-11(12)15)8-4-9(16-2)6-10(5-8)17-3/h4-6H,1-3H3,(H3,12,14,15)/b13-7+.
What are the key properties of [(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea?
[(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea has a molecular weight of 237.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea is sourced from PubChem (CID 121221771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).