[(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea

C14H21N3O2 — CID 6183392

IUPAC[(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea
SMILESCCOCc1c(C)cc(C)c(/C=N\NC(N)=O)c1C
InChIInChI=1S/C14H21N3O2/c1-5-19-8-13-10(3)6-9(2)12(11(13)4)7-16-17-14(15)18/h6-7H,5,8H2,1-4H3,(H3,15,17,18)/b16-7-
InChIKeyWDVTXSGHKFMPNU-APSNUPSMSA-N
MW263.34 g/mol
LogP2.15
Rot. Bonds5

About [(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea

[(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea (PubChem CID 6183392) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea
PubChem CID6183392
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea
SMILESCCOCc1c(C)cc(C)c(/C=N\NC(N)=O)c1C
InChIInChI=1S/C14H21N3O2/c1-5-19-8-13-10(3)6-9(2)12(11(13)4)7-16-17-14(15)18/h6-7H,5,8H2,1-4H3,(H3,15,17,18)/b16-7-
InChIKeyWDVTXSGHKFMPNU-APSNUPSMSA-N
XLogP2.15
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.15
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'}

Analyze [(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]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

[[3-(hydroxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea
CID 3357309
[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea
CID 168531915
4-[3-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]prop-2-enyl]benzoic acid
CID 123689651
[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylideneamino]urea
CID 168533781
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 5092533
[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 135679545
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
CID 124643941
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
ethyl N-[(E)-(2,6-difluorophenyl)methylideneamino]carbamate
CID 6902012
ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
CID 6861610
N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide
CID 5110124

Frequently Asked Questions

What is the IUPAC name of [(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea (CID 6183392) is [(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea is CCOCc1c(C)cc(C)c(/C=N\NC(N)=O)c1C.
What is the InChIKey of [(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea?
The InChIKey is WDVTXSGHKFMPNU-APSNUPSMSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-5-19-8-13-10(3)6-9(2)12(11(13)4)7-16-17-14(15)18/h6-7H,5,8H2,1-4H3,(H3,15,17,18)/b16-7-.
What are the key properties of [(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea?
[(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea has a molecular weight of 263.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]methylideneamino]urea is sourced from PubChem (CID 6183392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).