[1-(3-methoxyphenyl)ethylideneamino]urea

C10H13N3O2 — CID 3676916

IUPAC[1-(3-methoxyphenyl)ethylideneamino]urea
SMILESCOc1cccc(C(C)=NNC(N)=O)c1
InChIInChI=1S/C10H13N3O2/c1-7(12-13-10(11)14)8-4-3-5-9(6-8)15-2/h3-6H,1-2H3,(H3,11,13,14)
InChIKeyBMZNDZUKBXFFPO-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.09
Rot. Bonds3

About [1-(3-methoxyphenyl)ethylideneamino]urea

[1-(3-methoxyphenyl)ethylideneamino]urea (PubChem CID 3676916) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)ethylideneamino]urea.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)ethylideneamino]urea
PubChem CID3676916
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name[1-(3-methoxyphenyl)ethylideneamino]urea
SMILESCOc1cccc(C(C)=NNC(N)=O)c1
InChIInChI=1S/C10H13N3O2/c1-7(12-13-10(11)14)8-4-3-5-9(6-8)15-2/h3-6H,1-2H3,(H3,11,13,14)
InChIKeyBMZNDZUKBXFFPO-UHFFFAOYSA-N
XLogP1.09
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.09
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

[(E)-1-(3,5-dimethoxyphenyl)ethylideneamino]urea
CID 121221771
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
N'-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351520
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
CID 5076368
N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 4506053
N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4133967
N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6131731
N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)ethylideneamino]urea?
The IUPAC name of [1-(3-methoxyphenyl)ethylideneamino]urea (CID 3676916) is [1-(3-methoxyphenyl)ethylideneamino]urea.
What is the SMILES notation for [1-(3-methoxyphenyl)ethylideneamino]urea?
The canonical SMILES for [1-(3-methoxyphenyl)ethylideneamino]urea is COc1cccc(C(C)=NNC(N)=O)c1.
What is the InChIKey of [1-(3-methoxyphenyl)ethylideneamino]urea?
The InChIKey is BMZNDZUKBXFFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7(12-13-10(11)14)8-4-3-5-9(6-8)15-2/h3-6H,1-2H3,(H3,11,13,14).
What are the key properties of [1-(3-methoxyphenyl)ethylideneamino]urea?
[1-(3-methoxyphenyl)ethylideneamino]urea has a molecular weight of 207.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)ethylideneamino]urea is sourced from PubChem (CID 3676916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).