1-(4-acetylphenyl)-3-(phenoxymethyl)urea

C16H16N2O3 — CID 108888840

IUPAC1-(4-acetylphenyl)-3-(phenoxymethyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCOc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c1-12(19)13-7-9-14(10-8-13)18-16(20)17-11-21-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H2,17,18,20)
InChIKeyNHRQAHQSAJIYNI-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.05
Rot. Bonds5

About 1-(4-acetylphenyl)-3-(phenoxymethyl)urea

1-(4-acetylphenyl)-3-(phenoxymethyl)urea (PubChem CID 108888840) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(phenoxymethyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(phenoxymethyl)urea
PubChem CID108888840
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1-(4-acetylphenyl)-3-(phenoxymethyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCOc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c1-12(19)13-7-9-14(10-8-13)18-16(20)17-11-21-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H2,17,18,20)
InChIKeyNHRQAHQSAJIYNI-UHFFFAOYSA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
CID 108888748
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(phenoxymethyl)urea
CID 108888941
1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea
CID 108885167
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884380
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
CID 108987469
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969860
N-[4-[(2-methoxyphenoxy)methylcarbamoylamino]phenyl]acetamide
CID 108892060
1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
CID 108888745
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971952

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(phenoxymethyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(phenoxymethyl)urea (CID 108888840) is 1-(4-acetylphenyl)-3-(phenoxymethyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(phenoxymethyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(phenoxymethyl)urea is CC(=O)c1ccc(NC(=O)NCOc2ccccc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(phenoxymethyl)urea?
The InChIKey is NHRQAHQSAJIYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(19)13-7-9-14(10-8-13)18-16(20)17-11-21-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-acetylphenyl)-3-(phenoxymethyl)urea?
1-(4-acetylphenyl)-3-(phenoxymethyl)urea has a molecular weight of 284.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(phenoxymethyl)urea is sourced from PubChem (CID 108888840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).