1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea

C22H30N2O2 — CID 44589284

IUPAC1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea
SMILESCCOc1ccccc1CCCNC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C22H30N2O2/c1-4-17-12-9-13-18(5-2)21(17)24-22(25)23-16-10-14-19-11-7-8-15-20(19)26-6-3/h7-9,11-13,15H,4-6,10,14,16H2,1-3H3,(H2,23,24,25)
InChIKeyYSMUIKUMVKUDLS-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.96
Rot. Bonds9

About 1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea

1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea (PubChem CID 44589284) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea
PubChem CID44589284
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea
SMILESCCOc1ccccc1CCCNC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C22H30N2O2/c1-4-17-12-9-13-18(5-2)21(17)24-22(25)23-16-10-14-19-11-7-8-15-20(19)26-6-3/h7-9,11-13,15H,4-6,10,14,16H2,1-3H3,(H2,23,24,25)
InChIKeyYSMUIKUMVKUDLS-UHFFFAOYSA-N
XLogP4.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100601540
1-[2-(2-ethoxyphenyl)ethyl]-3-(3-iodophenyl)urea
CID 3716045
N-[3-(2-ethoxyphenyl)propyl]-2-(4-methoxyphenyl)acetamide
CID 92673607
1-[3-(2-ethoxyphenyl)propyl]-3-(4-ethylphenyl)thiourea
CID 100614936
(2R)-2-(3-chlorophenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 92684006
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
1-(3,5-dimethoxyphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3502987
3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100606977
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea (CID 44589284) is 1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea is CCOc1ccccc1CCCNC(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea?
The InChIKey is YSMUIKUMVKUDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-4-17-12-9-13-18(5-2)21(17)24-22(25)23-16-10-14-19-11-7-8-15-20(19)26-6-3/h7-9,11-13,15H,4-6,10,14,16H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea?
1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea has a molecular weight of 354.49 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea is sourced from PubChem (CID 44589284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).