3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea

C16H24N2O3 — CID 99697534

IUPAC3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea
SMILESCC(=O)c1ccc(NC(=O)N(C)[C@@H](CO)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(20)12-6-8-13(9-7-12)17-15(21)18(5)14(10-19)16(2,3)4/h6-9,14,19H,10H2,1-5H3,(H,17,21)/t14-/m0/s1
InChIKeyRKIDWBSAKBRNHE-AWEZNQCLSA-N
MW292.38 g/mol
LogP2.76
Rot. Bonds4

About 3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea

3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea (PubChem CID 99697534) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea
PubChem CID99697534
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea
SMILESCC(=O)c1ccc(NC(=O)N(C)[C@@H](CO)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(20)12-6-8-13(9-7-12)17-15(21)18(5)14(10-19)16(2,3)4/h6-9,14,19H,10H2,1-5H3,(H,17,21)/t14-/m0/s1
InChIKeyRKIDWBSAKBRNHE-AWEZNQCLSA-N
XLogP2.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea?
The IUPAC name of 3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea (CID 99697534) is 3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea.
What is the SMILES notation for 3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea?
The canonical SMILES for 3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea is CC(=O)c1ccc(NC(=O)N(C)[C@@H](CO)C(C)(C)C)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea?
The InChIKey is RKIDWBSAKBRNHE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(20)12-6-8-13(9-7-12)17-15(21)18(5)14(10-19)16(2,3)4/h6-9,14,19H,10H2,1-5H3,(H,17,21)/t14-/m0/s1.
What are the key properties of 3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea?
3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea has a molecular weight of 292.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea is sourced from PubChem (CID 99697534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).