3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea

C13H18N2O4 — CID 61347604

IUPAC3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(CCO)CCO)c1
InChIInChI=1S/C13H18N2O4/c1-10(18)11-3-2-4-12(9-11)14-13(19)15(5-7-16)6-8-17/h2-4,9,16-17H,5-8H2,1H3,(H,14,19)
InChIKeyQRAHMKZMIBKUCO-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.71
Rot. Bonds6

About 3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea

3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea (PubChem CID 61347604) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
PubChem CID61347604
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(CCO)CCO)c1
InChIInChI=1S/C13H18N2O4/c1-10(18)11-3-2-4-12(9-11)14-13(19)15(5-7-16)6-8-17/h2-4,9,16-17H,5-8H2,1H3,(H,14,19)
InChIKeyQRAHMKZMIBKUCO-UHFFFAOYSA-N
XLogP0.71
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
CID 102675463
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
3-[3-(chloromethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 57213701
3-(3-acetylphenyl)-1-(2-bromoethyl)-1-methylurea
CID 106441584
3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea
CID 52821871
methyl 3-(dipropylcarbamoylamino)benzoate
CID 108990977
3-(3-acetylphenyl)-1-methyl-1-pentylurea
CID 61347402
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea (CID 61347604) is 3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea is CC(=O)c1cccc(NC(=O)N(CCO)CCO)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is QRAHMKZMIBKUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10(18)11-3-2-4-12(9-11)14-13(19)15(5-7-16)6-8-17/h2-4,9,16-17H,5-8H2,1H3,(H,14,19).
What are the key properties of 3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea?
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 266.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 61347604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).