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

C11H14N2O3 — CID 110676030

IUPAC1-(4-acetylphenyl)-3-(methoxymethyl)urea
SMILESCOCNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C11H14N2O3/c1-8(14)9-3-5-10(6-4-9)13-11(15)12-7-16-2/h3-6H,7H2,1-2H3,(H2,12,13,15)
InChIKeyRXYAKESLWXEZOU-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.61
Rot. Bonds4

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

1-(4-acetylphenyl)-3-(methoxymethyl)urea (PubChem CID 110676030) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(methoxymethyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(methoxymethyl)urea
PubChem CID110676030
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(4-acetylphenyl)-3-(methoxymethyl)urea
SMILESCOCNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C11H14N2O3/c1-8(14)9-3-5-10(6-4-9)13-11(15)12-7-16-2/h3-6H,7H2,1-2H3,(H2,12,13,15)
InChIKeyRXYAKESLWXEZOU-UHFFFAOYSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.61
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-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631
1-(4-acetylphenyl)-3-(phenoxymethyl)urea
CID 108888840
1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 60724202
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
CID 66175411
1-(4-acetylphenyl)-3-[2-(methanesulfonamido)ethyl]urea
CID 47022405
3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66166879
4-[(4-acetylphenyl)carbamoylamino]butanoic acid
CID 28511845
1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217327

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(methoxymethyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(methoxymethyl)urea (CID 110676030) is 1-(4-acetylphenyl)-3-(methoxymethyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(methoxymethyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(methoxymethyl)urea is COCNC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(methoxymethyl)urea?
The InChIKey is RXYAKESLWXEZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(14)9-3-5-10(6-4-9)13-11(15)12-7-16-2/h3-6H,7H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(4-acetylphenyl)-3-(methoxymethyl)urea?
1-(4-acetylphenyl)-3-(methoxymethyl)urea has a molecular weight of 222.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(methoxymethyl)urea is sourced from PubChem (CID 110676030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).