[(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea

C21H29N3O3 — CID 8971861

IUPAC[(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea
SMILESCCOc1cc(/C=N\NC(N)=O)ccc1OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29N3O3/c1-2-26-19-8-14(12-23-24-20(22)25)3-4-18(19)27-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h3-4,8,12,15-17H,2,5-7,9-11,13H2,1H3,(H3,22,24,25)/b23-12-
InChIKeyIIXCSOVTALNHQR-FMCGGJTJSA-N
MW371.48 g/mol
LogP3.68
Rot. Bonds7

About [(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea

[(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea (PubChem CID 8971861) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is [(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea
PubChem CID8971861
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name[(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea
SMILESCCOc1cc(/C=N\NC(N)=O)ccc1OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29N3O3/c1-2-26-19-8-14(12-23-24-20(22)25)3-4-18(19)27-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h3-4,8,12,15-17H,2,5-7,9-11,13H2,1H3,(H3,22,24,25)/b23-12-
InChIKeyIIXCSOVTALNHQR-FMCGGJTJSA-N
XLogP3.68
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(Z)-[4-(1-adamantylmethoxy)-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

2-(1-adamantyl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135816260
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880
[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea
CID 6872804
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 19617913
[[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
[(Z)-(3,4-diethoxyphenyl)methylideneamino]thiourea
CID 5354424
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 9120925
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946

Frequently Asked Questions

What is the IUPAC name of [(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea (CID 8971861) is [(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea is CCOc1cc(/C=N\NC(N)=O)ccc1OCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea?
The InChIKey is IIXCSOVTALNHQR-FMCGGJTJSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-2-26-19-8-14(12-23-24-20(22)25)3-4-18(19)27-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h3-4,8,12,15-17H,2,5-7,9-11,13H2,1H3,(H3,22,24,25)/b23-12-.
What are the key properties of [(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea?
[(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea has a molecular weight of 371.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]urea is sourced from PubChem (CID 8971861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).