3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea

C16H24N2O3 — CID 111119299

IUPAC3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
SMILESCCCCCN(CCO)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C16H24N2O3/c1-3-4-5-9-18(10-11-19)16(21)17-15-8-6-7-14(12-15)13(2)20/h6-8,12,19H,3-5,9-11H2,1-2H3,(H,17,21)
InChIKeyAMPDHCMEFCWYSM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.91
Rot. Bonds8

About 3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea

3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea (PubChem CID 111119299) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
PubChem CID111119299
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
SMILESCCCCCN(CCO)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C16H24N2O3/c1-3-4-5-9-18(10-11-19)16(21)17-15-8-6-7-14(12-15)13(2)20/h6-8,12,19H,3-5,9-11H2,1-2H3,(H,17,21)
InChIKeyAMPDHCMEFCWYSM-UHFFFAOYSA-N
XLogP2.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.91
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

3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604
3-(3-acetylphenyl)-1-methyl-1-pentylurea
CID 61347402
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
3-(3-bromophenyl)-1-heptyl-1-propylurea
CID 141136660
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
3-(3,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120524
1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 111120618
3-[3-(azepan-1-yl)phenyl]-1-butyl-1-(2-hydroxyethyl)urea
CID 111453660
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121343
3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea
CID 52821871

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea?
The IUPAC name of 3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea (CID 111119299) is 3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea?
The canonical SMILES for 3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea is CCCCCN(CCO)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea?
The InChIKey is AMPDHCMEFCWYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-5-9-18(10-11-19)16(21)17-15-8-6-7-14(12-15)13(2)20/h6-8,12,19H,3-5,9-11H2,1-2H3,(H,17,21).
What are the key properties of 3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea?
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea has a molecular weight of 292.38 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea is sourced from PubChem (CID 111119299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).