[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea

C14H21N3O3 — CID 7832387

IUPAC[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
SMILESCCCCOc1ccc(/C=N\NC(N)=O)cc1OCC
InChIInChI=1S/C14H21N3O3/c1-3-5-8-20-12-7-6-11(9-13(12)19-4-2)10-16-17-14(15)18/h6-7,9-10H,3-5,8H2,1-2H3,(H3,15,17,18)/b16-10-
InChIKeyRJOHXNZKWVURLG-YBEGLDIGSA-N
MW279.34 g/mol
LogP2.27
Rot. Bonds8

About [(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea

[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea (PubChem CID 7832387) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
PubChem CID7832387
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
SMILESCCCCOc1ccc(/C=N\NC(N)=O)cc1OCC
InChIInChI=1S/C14H21N3O3/c1-3-5-8-20-12-7-6-11(9-13(12)19-4-2)10-16-17-14(15)18/h6-7,9-10H,3-5,8H2,1-2H3,(H3,15,17,18)/b16-10-
InChIKeyRJOHXNZKWVURLG-YBEGLDIGSA-N
XLogP2.27
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.27
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)-(4-butoxy-3-ethoxyphenyl)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-pentoxyphenyl)methylideneamino]urea
CID 112538734
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880
[(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
[[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
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 110339969
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505837
[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea
CID 6872804
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 3961761

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea (CID 7832387) is [(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea is CCCCOc1ccc(/C=N\NC(N)=O)cc1OCC.
What is the InChIKey of [(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea?
The InChIKey is RJOHXNZKWVURLG-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-5-8-20-12-7-6-11(9-13(12)19-4-2)10-16-17-14(15)18/h6-7,9-10H,3-5,8H2,1-2H3,(H3,15,17,18)/b16-10-.
What are the key properties of [(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea?
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea has a molecular weight of 279.34 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 7832387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).