1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea

C15H22N2O4 — CID 60724202

IUPAC1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
SMILESCOCCOCCCNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H22N2O4/c1-12(18)13-4-6-14(7-5-13)17-15(19)16-8-3-9-21-11-10-20-2/h4-7H,3,8-11H2,1-2H3,(H2,16,17,19)
InChIKeyQXHIJOVTUDFBKW-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.06
Rot. Bonds9

About 1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea

1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea (PubChem CID 60724202) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
PubChem CID60724202
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
SMILESCOCCOCCCNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H22N2O4/c1-12(18)13-4-6-14(7-5-13)17-15(19)16-8-3-9-21-11-10-20-2/h4-7H,3,8-11H2,1-2H3,(H2,16,17,19)
InChIKeyQXHIJOVTUDFBKW-UHFFFAOYSA-N
XLogP2.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
4-[(4-acetylphenyl)carbamoylamino]butanoic acid
CID 28511845
N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959753
ethyl 4-[(4-acetylphenyl)carbamoylamino]butanoate
CID 38882652
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
1-(4-acetylphenyl)-3-(4-cyanobutyl)urea
CID 63297190
1-(3-methoxypropyl)-3-(4-methylsulfonylphenyl)urea
CID 47197998
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide
CID 59567313
1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969860

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea (CID 60724202) is 1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea is COCCOCCCNC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea?
The InChIKey is QXHIJOVTUDFBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12(18)13-4-6-14(7-5-13)17-15(19)16-8-3-9-21-11-10-20-2/h4-7H,3,8-11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea?
1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea has a molecular weight of 294.35 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea is sourced from PubChem (CID 60724202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).