2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide

C16H24N2O3 — CID 96542842

IUPAC2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NC[C@@H](O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(19)18-13-7-5-12(6-8-13)9-15(21)17-10-14(20)16(2,3)4/h5-8,14,20H,9-10H2,1-4H3,(H,17,21)(H,18,19)/t14-/m1/s1
InChIKeyPGSBXQVBUIJCPQ-CQSZACIVSA-N
MW292.38 g/mol
LogP1.71
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide

2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide (PubChem CID 96542842) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide
PubChem CID96542842
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NC[C@@H](O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(19)18-13-7-5-12(6-8-13)9-15(21)17-10-14(20)16(2,3)4/h5-8,14,20H,9-10H2,1-4H3,(H,17,21)(H,18,19)/t14-/m1/s1
InChIKeyPGSBXQVBUIJCPQ-CQSZACIVSA-N
XLogP1.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
CID 71848986
2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide
CID 108792637
2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
CID 111451423
2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 9263287
2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169576
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301966
2-(4-acetamidophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43393261
2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 75441471
N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide
CID 114265317
2-(4-acetamidophenyl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9481055
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide (CID 96542842) is 2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide is CC(=O)Nc1ccc(CC(=O)NC[C@@H](O)C(C)(C)C)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide?
The InChIKey is PGSBXQVBUIJCPQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(19)18-13-7-5-12(6-8-13)9-15(21)17-10-14(20)16(2,3)4/h5-8,14,20H,9-10H2,1-4H3,(H,17,21)(H,18,19)/t14-/m1/s1.
What are the key properties of 2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide?
2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide is sourced from PubChem (CID 96542842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).