[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea

C15H23N3O3 — CID 112538734

IUPAC[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
SMILESCCCCCOc1ccc(/C=N\NC(N)=O)cc1OCC
InChIInChI=1S/C15H23N3O3/c1-3-5-6-9-21-13-8-7-12(10-14(13)20-4-2)11-17-18-15(16)19/h7-8,10-11H,3-6,9H2,1-2H3,(H3,16,18,19)/b17-11-
InChIKeyHBEMSFSOGAXKGZ-BOPFTXTBSA-N
MW293.37 g/mol
LogP2.66
Rot. Bonds9

About [(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea

[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea (PubChem CID 112538734) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
PubChem CID112538734
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
SMILESCCCCCOc1ccc(/C=N\NC(N)=O)cc1OCC
InChIInChI=1S/C15H23N3O3/c1-3-5-6-9-21-13-8-7-12(10-14(13)20-4-2)11-17-18-15(16)19/h7-8,10-11H,3-6,9H2,1-2H3,(H3,16,18,19)/b17-11-
InChIKeyHBEMSFSOGAXKGZ-BOPFTXTBSA-N
XLogP2.66
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-(3-ethoxy-4-pentoxyphenyl)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

[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 110339969
[[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea
CID 5036954
[[4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]urea
CID 4692458
N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509384
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506641

Frequently Asked Questions

What is the IUPAC name of [(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea (CID 112538734) is [(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea is CCCCCOc1ccc(/C=N\NC(N)=O)cc1OCC.
What is the InChIKey of [(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea?
The InChIKey is HBEMSFSOGAXKGZ-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-5-6-9-21-13-8-7-12(10-14(13)20-4-2)11-17-18-15(16)19/h7-8,10-11H,3-6,9H2,1-2H3,(H3,16,18,19)/b17-11-.
What are the key properties of [(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea?
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea has a molecular weight of 293.37 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 112538734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).