1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea

C23H32N2O2 — CID 3697295

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C23H32N2O2/c1-6-27-19-12-10-18(11-13-19)14-15-24-23(26)25-22-20(16(2)3)8-7-9-21(22)17(4)5/h7-13,16-17H,6,14-15H2,1-5H3,(H2,24,25,26)
InChIKeyHINPIGAHBNCGMF-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.70
Rot. Bonds8

About 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea

1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea (PubChem CID 3697295) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea
PubChem CID3697295
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C23H32N2O2/c1-6-27-19-12-10-18(11-13-19)14-15-24-23(26)25-22-20(16(2)3)8-7-9-21(22)17(4)5/h7-13,16-17H,6,14-15H2,1-5H3,(H2,24,25,26)
InChIKeyHINPIGAHBNCGMF-UHFFFAOYSA-N
XLogP5.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-ethoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 3695787
2-(4-ethoxyphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 51536149
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
CID 110788101
ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
CID 3740892
1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108890945
1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973189
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972292

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea (CID 3697295) is 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea is CCOc1ccc(CCNC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea?
The InChIKey is HINPIGAHBNCGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-6-27-19-12-10-18(11-13-19)14-15-24-23(26)25-22-20(16(2)3)8-7-9-21(22)17(4)5/h7-13,16-17H,6,14-15H2,1-5H3,(H2,24,25,26).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea has a molecular weight of 368.52 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea is sourced from PubChem (CID 3697295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).