1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea

C18H28N2O3 — CID 108891509

IUPAC1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C18H28N2O3/c1-3-23-16-10-9-14(13-17(16)22-2)11-12-19-18(21)20-15-7-5-4-6-8-15/h9-10,13,15H,3-8,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyUAENJDGNFREBMI-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.27
Rot. Bonds7

About 1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea

1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea (PubChem CID 108891509) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
PubChem CID108891509
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C18H28N2O3/c1-3-23-16-10-9-14(13-17(16)22-2)11-12-19-18(21)20-15-7-5-4-6-8-15/h9-10,13,15H,3-8,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyUAENJDGNFREBMI-UHFFFAOYSA-N
XLogP3.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
2-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 112994029
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108958959
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-cyclohexylurea
CID 46762304
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea (CID 108891509) is 1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea is CCOc1ccc(CCNC(=O)NC2CCCCC2)cc1OC.
What is the InChIKey of 1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea?
The InChIKey is UAENJDGNFREBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-23-16-10-9-14(13-17(16)22-2)11-12-19-18(21)20-15-7-5-4-6-8-15/h9-10,13,15H,3-8,11-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea?
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea has a molecular weight of 320.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108891509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).