3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea

C15H20N2O3 — CID 102675463

IUPAC3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(CCO)C2CCC2)c1
InChIInChI=1S/C15H20N2O3/c1-11(19)12-4-2-5-13(10-12)16-15(20)17(8-9-18)14-6-3-7-14/h2,4-5,10,14,18H,3,6-9H2,1H3,(H,16,20)
InChIKeyXETGFGBSHAWGBG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.27
Rot. Bonds5

About 3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea

3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea (PubChem CID 102675463) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
PubChem CID102675463
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(CCO)C2CCC2)c1
InChIInChI=1S/C15H20N2O3/c1-11(19)12-4-2-5-13(10-12)16-15(20)17(8-9-18)14-6-3-7-14/h2,4-5,10,14,18H,3,6-9H2,1H3,(H,16,20)
InChIKeyXETGFGBSHAWGBG-UHFFFAOYSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
3-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 78973685
5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 102865413
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865423
1-(2-hydroxyethyl)-1-(thian-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 122150164
2-(3-acetylanilino)-N-cyclohexyl-N-ethylacetamide
CID 47005247
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea (CID 102675463) is 3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea is CC(=O)c1cccc(NC(=O)N(CCO)C2CCC2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea?
The InChIKey is XETGFGBSHAWGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(19)12-4-2-5-13(10-12)16-15(20)17(8-9-18)14-6-3-7-14/h2,4-5,10,14,18H,3,6-9H2,1H3,(H,16,20).
What are the key properties of 3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea?
3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea has a molecular weight of 276.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 102675463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).