2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide

C14H20N2O4 — CID 66169576

IUPAC2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCC(C)(O)CO)cc1
InChIInChI=1S/C14H20N2O4/c1-10(18)16-12-5-3-11(4-6-12)7-13(19)15-8-14(2,20)9-17/h3-6,17,20H,7-9H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyXZISQTAGHBQNPA-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.05
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide

2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide (PubChem CID 66169576) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
PubChem CID66169576
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCC(C)(O)CO)cc1
InChIInChI=1S/C14H20N2O4/c1-10(18)16-12-5-3-11(4-6-12)7-13(19)15-8-14(2,20)9-17/h3-6,17,20H,7-9H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyXZISQTAGHBQNPA-UHFFFAOYSA-N
XLogP0.05
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 9263287
2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 75441471
2-(4-acetamidophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43393261
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide
CID 96542842
2-(4-acetamidophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
CID 71848986
N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 66170415
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 66169594
2-(4-acetamidophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115869949
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
CID 66171129

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide (CID 66169576) is 2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide is CC(=O)Nc1ccc(CC(=O)NCC(C)(O)CO)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The InChIKey is XZISQTAGHBQNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(18)16-12-5-3-11(4-6-12)7-13(19)15-8-14(2,20)9-17/h3-6,17,20H,7-9H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide has a molecular weight of 280.32 g/mol, XLogP of 0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 66169576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).