1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea

C25H33N3O5 — CID 3715828

IUPAC1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea
SMILESCCOc1cc(C=NNC(=O)NC2CCCCC2)ccc1OCCOc1ccccc1OC
InChIInChI=1S/C25H33N3O5/c1-3-31-24-17-19(18-26-28-25(29)27-20-9-5-4-6-10-20)13-14-23(24)33-16-15-32-22-12-8-7-11-21(22)30-2/h7-8,11-14,17-18,20H,3-6,9-10,15-16H2,1-2H3,(H2,27,28,29)
InChIKeyHNHXYHVIYBFPJR-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.52
Rot. Bonds11

About 1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea

1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea (PubChem CID 3715828) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea
PubChem CID3715828
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC Name1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea
SMILESCCOc1cc(C=NNC(=O)NC2CCCCC2)ccc1OCCOc1ccccc1OC
InChIInChI=1S/C25H33N3O5/c1-3-31-24-17-19(18-26-28-25(29)27-20-9-5-4-6-10-20)13-14-23(24)33-16-15-32-22-12-8-7-11-21(22)30-2/h7-8,11-14,17-18,20H,3-6,9-10,15-16H2,1-2H3,(H2,27,28,29)
InChIKeyHNHXYHVIYBFPJR-UHFFFAOYSA-N
XLogP4.52
TPSA90.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099
N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 21211563
1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea
CID 4216944
1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 112538633
1-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-cyclohexylthiourea
CID 110339920
1-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-cyclohexylthiourea
CID 112538617
1-cyclohexyl-3-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 7933914
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126209978
(2R)-2-cyano-N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126205794
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505837

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea?
The IUPAC name of 1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea (CID 3715828) is 1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea?
The canonical SMILES for 1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea is CCOc1cc(C=NNC(=O)NC2CCCCC2)ccc1OCCOc1ccccc1OC.
What is the InChIKey of 1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea?
The InChIKey is HNHXYHVIYBFPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-3-31-24-17-19(18-26-28-25(29)27-20-9-5-4-6-10-20)13-14-23(24)33-16-15-32-22-12-8-7-11-21(22)30-2/h7-8,11-14,17-18,20H,3-6,9-10,15-16H2,1-2H3,(H2,27,28,29).
What are the key properties of 1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea?
1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea has a molecular weight of 455.56 g/mol, XLogP of 4.52, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 3715828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).