1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea

C15H22N2O3 — CID 103709885

IUPAC1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
SMILESCC(=O)c1ccc(NC(=O)NC(CCO)C(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)14(8-9-18)17-15(20)16-13-6-4-12(5-7-13)11(3)19/h4-7,10,14,18H,8-9H2,1-3H3,(H2,16,17,20)
InChIKeyLPNQVZVLQXGDJY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.42
Rot. Bonds6

About 1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea

1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea (PubChem CID 103709885) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
PubChem CID103709885
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
SMILESCC(=O)c1ccc(NC(=O)NC(CCO)C(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)14(8-9-18)17-15(20)16-13-6-4-12(5-7-13)11(3)19/h4-7,10,14,18H,8-9H2,1-3H3,(H2,16,17,20)
InChIKeyLPNQVZVLQXGDJY-UHFFFAOYSA-N
XLogP2.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)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

1-[(3R)-1-hydroxy-4-methylpentan-3-yl]-3-(4-nitrophenyl)urea
CID 97318875
1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473738
1-(4-acetylphenyl)-3-(3-methylpentan-2-yl)urea
CID 61466395
2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanamide
CID 103951096
1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea
CID 106357297
methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanoate
CID 663581
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 111473435
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881
(2S,3R)-2-[(4-acetylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 943801
1-(4-acetylphenyl)-3-octan-4-ylurea
CID 106025098
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea
CID 86702389

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea (CID 103709885) is 1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea is CC(=O)c1ccc(NC(=O)NC(CCO)C(C)C)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The InChIKey is LPNQVZVLQXGDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)14(8-9-18)17-15(20)16-13-6-4-12(5-7-13)11(3)19/h4-7,10,14,18H,8-9H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea?
1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea has a molecular weight of 278.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea is sourced from PubChem (CID 103709885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).