1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea

C18H20N2O3 — CID 108884380

IUPAC1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
SMILESCCOc1ccc(CNC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-23-17-10-4-14(5-11-17)12-19-18(22)20-16-8-6-15(7-9-16)13(2)21/h4-11H,3,12H2,1-2H3,(H2,19,20,22)
InChIKeyPPYHDWCJOJFCQX-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.61
Rot. Bonds6

About 1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea

1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea (PubChem CID 108884380) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
PubChem CID108884380
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
SMILESCCOc1ccc(CNC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-23-17-10-4-14(5-11-17)12-19-18(22)20-16-8-6-15(7-9-16)13(2)21/h4-11H,3,12H2,1-2H3,(H2,19,20,22)
InChIKeyPPYHDWCJOJFCQX-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
1-[(4-ethoxyphenyl)methyl]-3-(4-nitrophenyl)urea
CID 108884371
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
1-[4-[(4-ethoxyanilino)methyl]phenyl]ethanone;sulfuryl dichloride
CID 175521393
4-[[(4-ethoxyphenyl)carbamothioylamino]methyl]benzoic acid
CID 17284489
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
ethyl 4-[[(4-ethoxycarbonyloxyphenyl)carbamoylamino]methyl]benzoate
CID 108865745
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea (CID 108884380) is 1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea is CCOc1ccc(CNC(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea?
The InChIKey is PPYHDWCJOJFCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-23-17-10-4-14(5-11-17)12-19-18(22)20-16-8-6-15(7-9-16)13(2)21/h4-11H,3,12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea?
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea has a molecular weight of 312.37 g/mol, XLogP of 3.61, 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-[(4-ethoxyphenyl)methyl]urea is sourced from PubChem (CID 108884380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).