[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea

C13H19N3O4 — CID 110539433

IUPAC[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea
SMILESCCCOc1c(OC)cc(/C=N\NC(N)=O)cc1OC
InChIInChI=1S/C13H19N3O4/c1-4-5-20-12-10(18-2)6-9(7-11(12)19-3)8-15-16-13(14)17/h6-8H,4-5H2,1-3H3,(H3,14,16,17)/b15-8-
InChIKeyAKXLCJDKCUSXOP-NVNXTCNLSA-N
MW281.31 g/mol
LogP1.49
Rot. Bonds7

About [(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea

[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea (PubChem CID 110539433) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is [(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea
PubChem CID110539433
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea
SMILESCCCOc1c(OC)cc(/C=N\NC(N)=O)cc1OC
InChIInChI=1S/C13H19N3O4/c1-4-5-20-12-10(18-2)6-9(7-11(12)19-3)8-15-16-13(14)17/h6-8H,4-5H2,1-3H3,(H3,14,16,17)/b15-8-
InChIKeyAKXLCJDKCUSXOP-NVNXTCNLSA-N
XLogP1.49
TPSA95.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(Z)-(3,5-dimethoxy-4-propoxyphenyl)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

4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110514915
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110507170
1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea
CID 110508753
[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 19617933
N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide
CID 8989020
2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]acetic acid
CID 840658
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 19617941
[[3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 3501853
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158

Frequently Asked Questions

What is the IUPAC name of [(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea (CID 110539433) is [(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea is CCCOc1c(OC)cc(/C=N\NC(N)=O)cc1OC.
What is the InChIKey of [(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea?
The InChIKey is AKXLCJDKCUSXOP-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-5-20-12-10(18-2)6-9(7-11(12)19-3)8-15-16-13(14)17/h6-8H,4-5H2,1-3H3,(H3,14,16,17)/b15-8-.
What are the key properties of [(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea?
[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea has a molecular weight of 281.31 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 110539433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).