1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea

C16H23N3O4 — CID 135675925

IUPAC1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea
SMILESCOc1cc(/C=N/NC(=O)NC2CCCCC2)cc(OC)c1O
InChIInChI=1S/C16H23N3O4/c1-22-13-8-11(9-14(23-2)15(13)20)10-17-19-16(21)18-12-6-4-3-5-7-12/h8-10,12,20H,3-7H2,1-2H3,(H2,18,19,21)/b17-10+
InChIKeyVANIDCKQIJPAEF-LICLKQGHSA-N
MW321.38 g/mol
LogP2.38
Rot. Bonds5

About 1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea

1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea (PubChem CID 135675925) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea
PubChem CID135675925
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea
SMILESCOc1cc(/C=N/NC(=O)NC2CCCCC2)cc(OC)c1O
InChIInChI=1S/C16H23N3O4/c1-22-13-8-11(9-14(23-2)15(13)20)10-17-19-16(21)18-12-6-4-3-5-7-12/h8-10,12,20H,3-7H2,1-2H3,(H2,18,19,21)/b17-10+
InChIKeyVANIDCKQIJPAEF-LICLKQGHSA-N
XLogP2.38
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Cyclohexyl-2-(4-hydroxy-3-methoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 135411910
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
CID 135548581
1-cyclohexyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135616073
2-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)sulfanyl]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]acetohydrazide
CID 135412058
2-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanohydrazide
CID 135412061
4-Hydroxy-3,5-dimethoxybenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone
CID 135412207
1-(2-phenylethyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 9584575
1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135676379
1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-phenylethyl)urea
CID 49835096
3-Ethoxy-4-hydroxybenzaldehyde N-cyclohexylthiosemicarbazone
CID 135777882
1,2-bis[(E)-(3,4-dihydroxy-5-methoxyphenyl)methylideneamino]guanidine
CID 137175134
(e)-N-cyclohexyl-2-[2-(3,4,5-trimethoxybenzylidene)hydrazinecarbonothioyl]hydrazinecarbothioamide
CID 162370828

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea (CID 135675925) is 1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea is COc1cc(/C=N/NC(=O)NC2CCCCC2)cc(OC)c1O.
What is the InChIKey of 1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea?
The InChIKey is VANIDCKQIJPAEF-LICLKQGHSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-22-13-8-11(9-14(23-2)15(13)20)10-17-19-16(21)18-12-6-4-3-5-7-12/h8-10,12,20H,3-7H2,1-2H3,(H2,18,19,21)/b17-10+.
What are the key properties of 1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea?
1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea has a molecular weight of 321.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135675925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).