2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide

C17H26N2O3 — CID 75441471

IUPAC2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCC(C)(C)CCCO)cc1
InChIInChI=1S/C17H26N2O3/c1-13(21)19-15-7-5-14(6-8-15)11-16(22)18-12-17(2,3)9-4-10-20/h5-8,20H,4,9-12H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyQKPNTUZJOSGAPA-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.10
Rot. Bonds8

About 2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide

2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide (PubChem CID 75441471) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
PubChem CID75441471
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCC(C)(C)CCCO)cc1
InChIInChI=1S/C17H26N2O3/c1-13(21)19-15-7-5-14(6-8-15)11-16(22)18-12-17(2,3)9-4-10-20/h5-8,20H,4,9-12H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyQKPNTUZJOSGAPA-UHFFFAOYSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide
CID 106149651
2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169576
2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 9263287
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 103899658
N-(5-hydroxy-2,2-dimethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 103901151
N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
CID 103899612
2-(4-acetamidophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115869949
2-(4-acetamidophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103946030
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899330
N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide
CID 103707998
2-anilino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148276

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide (CID 75441471) is 2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide is CC(=O)Nc1ccc(CC(=O)NCC(C)(C)CCCO)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The InChIKey is QKPNTUZJOSGAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(21)19-15-7-5-14(6-8-15)11-16(22)18-12-17(2,3)9-4-10-20/h5-8,20H,4,9-12H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide is sourced from PubChem (CID 75441471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).