[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea

C12H17N3O2 — CID 168531915

IUPAC[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea
SMILESCCOc1c(C)cc(C=NNC(N)=O)cc1C
InChIInChI=1S/C12H17N3O2/c1-4-17-11-8(2)5-10(6-9(11)3)7-14-15-12(13)16/h5-7H,4H2,1-3H3,(H3,13,15,16)
InChIKeyBCOLRQAHJXGGGM-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.70
Rot. Bonds4

About [(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea

[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea (PubChem CID 168531915) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea
PubChem CID168531915
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea
SMILESCCOc1c(C)cc(C=NNC(N)=O)cc1C
InChIInChI=1S/C12H17N3O2/c1-4-17-11-8(2)5-10(6-9(11)3)7-14-15-12(13)16/h5-7H,4H2,1-3H3,(H3,13,15,16)
InChIKeyBCOLRQAHJXGGGM-UHFFFAOYSA-N
XLogP1.70
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.70
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

[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]thiourea
CID 168534373
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]urea
CID 168532862
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
[(3,5-dimethyl-4-propoxyphenyl)methylideneamino]thiourea
CID 168535461
[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]urea
CID 135851177
2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide
CID 57361228
[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea
CID 110539433
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
[(3,5-dichloro-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 168532842
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387

Frequently Asked Questions

What is the IUPAC name of [(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea?
The IUPAC name of [(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea (CID 168531915) is [(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea.
What is the SMILES notation for [(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea?
The canonical SMILES for [(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea is CCOc1c(C)cc(C=NNC(N)=O)cc1C.
What is the InChIKey of [(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea?
The InChIKey is BCOLRQAHJXGGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-4-17-11-8(2)5-10(6-9(11)3)7-14-15-12(13)16/h5-7H,4H2,1-3H3,(H3,13,15,16).
What are the key properties of [(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea?
[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea has a molecular weight of 235.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea is sourced from PubChem (CID 168531915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).