1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea

C18H20N2O3 — CID 112969860

IUPAC1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCCOc2ccccc2C)cc1
InChIInChI=1S/C18H20N2O3/c1-13-5-3-4-6-17(13)23-12-11-19-18(22)20-16-9-7-15(8-10-16)14(2)21/h3-10H,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyBDGSYUQCHQWAIC-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.40
Rot. Bonds6

About 1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea

1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea (PubChem CID 112969860) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
PubChem CID112969860
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCCOc2ccccc2C)cc1
InChIInChI=1S/C18H20N2O3/c1-13-5-3-4-6-17(13)23-12-11-19-18(22)20-16-9-7-15(8-10-16)14(2)21/h3-10H,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyBDGSYUQCHQWAIC-UHFFFAOYSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883788
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971489
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694
methyl 3-[3-(2-methylphenoxy)propylcarbamoylamino]benzoate
CID 108884001
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969797
1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970277
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971952
N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide
CID 72873722
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea (CID 112969860) is 1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea is CC(=O)c1ccc(NC(=O)NCCOc2ccccc2C)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
The InChIKey is BDGSYUQCHQWAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-5-3-4-6-17(13)23-12-11-19-18(22)20-16-9-7-15(8-10-16)14(2)21/h3-10H,11-12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea has a molecular weight of 312.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112969860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).