[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea

C12H17N3O4 — CID 6003302

IUPAC[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea
SMILESCOc1cc(/C(C)=N\NC(N)=O)cc(OC)c1OC
InChIInChI=1S/C12H17N3O4/c1-7(14-15-12(13)16)8-5-9(17-2)11(19-4)10(6-8)18-3/h5-6H,1-4H3,(H3,13,15,16)/b14-7-
InChIKeyUWSGZGJBPDVPRT-AUWJEWJLSA-N
MW267.29 g/mol
LogP1.10
Rot. Bonds5

About [(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea

[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea (PubChem CID 6003302) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is [(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea
PubChem CID6003302
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea
SMILESCOc1cc(/C(C)=N\NC(N)=O)cc(OC)c1OC
InChIInChI=1S/C12H17N3O4/c1-7(14-15-12(13)16)8-5-9(17-2)11(19-4)10(6-8)18-3/h5-6H,1-4H3,(H3,13,15,16)/b14-7-
InChIKeyUWSGZGJBPDVPRT-AUWJEWJLSA-N
XLogP1.10
TPSA95.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea
CID 121221771
2-(2,5-dimethylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 5015848
2-(2,5-dimethylphenoxy)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 55353088
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
N-[1-(3-bromophenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 3496724
diaminomethylidene-[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]azanium
CID 7689582
3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
CID 9231843
4-bromo-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]benzenesulfonamide
CID 6052627
N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine
CID 4985798
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 6028855
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 4047183

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea?
The IUPAC name of [(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea (CID 6003302) is [(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea?
The canonical SMILES for [(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea is COc1cc(/C(C)=N\NC(N)=O)cc(OC)c1OC.
What is the InChIKey of [(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea?
The InChIKey is UWSGZGJBPDVPRT-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(14-15-12(13)16)8-5-9(17-2)11(19-4)10(6-8)18-3/h5-6H,1-4H3,(H3,13,15,16)/b14-7-.
What are the key properties of [(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea?
[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea has a molecular weight of 267.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]urea is sourced from PubChem (CID 6003302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).