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

C14H18N2O3 — CID 60765143

IUPAC3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C14H18N2O3/c1-10(18)11-3-2-4-12(9-11)15-14(19)16(7-8-17)13-5-6-13/h2-4,9,13,17H,5-8H2,1H3,(H,15,19)
InChIKeyJUMFLQMNFQUJGQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.88
Rot. Bonds5

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

3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 60765143) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID60765143
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C14H18N2O3/c1-10(18)11-3-2-4-12(9-11)15-14(19)16(7-8-17)13-5-6-13/h2-4,9,13,17H,5-8H2,1H3,(H,15,19)
InChIKeyJUMFLQMNFQUJGQ-UHFFFAOYSA-N
XLogP1.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
CID 102675463
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
3-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 78973685
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111435009
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111437751
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
1-cyclopropyl-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-(2-hydroxyethyl)urea
CID 111110138
1-(2-hydroxyethyl)-1-(thian-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 122150164

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 60765143) is 3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea is CC(=O)c1cccc(NC(=O)N(CCO)C2CC2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is JUMFLQMNFQUJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(18)11-3-2-4-12(9-11)15-14(19)16(7-8-17)13-5-6-13/h2-4,9,13,17H,5-8H2,1H3,(H,15,19).
What are the key properties of 3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 262.31 g/mol, XLogP of 1.88, 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-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 60765143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).