[(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea

C20H25N3O3 — CID 6054601

IUPAC[(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea
SMILESCc1ccc(C(C)C)c(OCCOc2ccccc2/C=N\NC(N)=O)c1
InChIInChI=1S/C20H25N3O3/c1-14(2)17-9-8-15(3)12-19(17)26-11-10-25-18-7-5-4-6-16(18)13-22-23-20(21)24/h4-9,12-14H,10-11H2,1-3H3,(H3,21,23,24)/b22-13-
InChIKeySWGBSDLDESDWHI-XKZIYDEJSA-N
MW355.44 g/mol
LogP3.58
Rot. Bonds8

About [(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea

[(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea (PubChem CID 6054601) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea
PubChem CID6054601
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea
SMILESCc1ccc(C(C)C)c(OCCOc2ccccc2/C=N\NC(N)=O)c1
InChIInChI=1S/C20H25N3O3/c1-14(2)17-9-8-15(3)12-19(17)26-11-10-25-18-7-5-4-6-16(18)13-22-23-20(21)24/h4-9,12-14H,10-11H2,1-3H3,(H3,21,23,24)/b22-13-
InChIKeySWGBSDLDESDWHI-XKZIYDEJSA-N
XLogP3.58
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.58
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)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]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-methoxy-2-[3-(5-methyl-2-propan-2-ylphenoxy)propoxy]phenyl]methylideneamino]urea
CID 3614918
[[5-methyl-2-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 168531973
[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea
CID 168532584
[[2-[3-(4-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]urea
CID 3572601
[[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 4998070
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135987122
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6869999
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 3529778
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
[(Z)-[5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 5347891
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898722

Frequently Asked Questions

What is the IUPAC name of [(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea (CID 6054601) is [(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea is Cc1ccc(C(C)C)c(OCCOc2ccccc2/C=N\NC(N)=O)c1.
What is the InChIKey of [(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea?
The InChIKey is SWGBSDLDESDWHI-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)17-9-8-15(3)12-19(17)26-11-10-25-18-7-5-4-6-16(18)13-22-23-20(21)24/h4-9,12-14H,10-11H2,1-3H3,(H3,21,23,24)/b22-13-.
What are the key properties of [(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea?
[(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea has a molecular weight of 355.44 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 6054601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).