4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide

C14H21NO2 — CID 103956399

IUPAC4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C14H21NO2/c1-5-12(6-2)15(4)14(17)11-7-8-13(16)10(3)9-11/h7-9,12,16H,5-6H2,1-4H3
InChIKeyKRHUTIPTAFGXOF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.96
Rot. Bonds4

About 4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide

4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide (PubChem CID 103956399) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
PubChem CID103956399
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C14H21NO2/c1-5-12(6-2)15(4)14(17)11-7-8-13(16)10(3)9-11/h7-9,12,16H,5-6H2,1-4H3
InChIKeyKRHUTIPTAFGXOF-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43571474
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 63212442
4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide
CID 59238546
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930
3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
4-(bromomethyl)-N-methyl-N-pentan-3-ylbenzamide
CID 102851011
2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide
CID 107722395
N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide
CID 103763778
3,4-dihydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 103956182
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide?
The IUPAC name of 4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide (CID 103956399) is 4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide is CCC(CC)N(C)C(=O)c1ccc(O)c(C)c1.
What is the InChIKey of 4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide?
The InChIKey is KRHUTIPTAFGXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-12(6-2)15(4)14(17)11-7-8-13(16)10(3)9-11/h7-9,12,16H,5-6H2,1-4H3.
What are the key properties of 4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide?
4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 103956399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).