N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide

C17H27NO3 — CID 110002569

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide
SMILESCCC(C)(CCO)NC(=O)CC(C)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO3/c1-5-17(3,10-11-19)18-16(20)12-13(2)14-6-8-15(21-4)9-7-14/h6-9,13,19H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyZXWJZVBEDBVNRM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds8

About N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide

N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide (PubChem CID 110002569) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide
PubChem CID110002569
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide
SMILESCCC(C)(CCO)NC(=O)CC(C)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO3/c1-5-17(3,10-11-19)18-16(20)12-13(2)14-6-8-15(21-4)9-7-14/h6-9,13,19H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyZXWJZVBEDBVNRM-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 103945749
2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945438
(3S)-4-hydroxy-3-[3-(4-methoxyphenyl)butanoylamino]butanoic acid
CID 146076841
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 115968798
3-amino-N-(1-hydroxy-3-methylpentan-3-yl)pentanamide
CID 106176293
N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
CID 119407461
N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide
CID 119995673
3-[3-(4-methoxyphenyl)butanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120701155
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanamide
CID 110297262
N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
CID 64557752
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide (CID 110002569) is N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide is CCC(C)(CCO)NC(=O)CC(C)c1ccc(OC)cc1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide?
The InChIKey is ZXWJZVBEDBVNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-17(3,10-11-19)18-16(20)12-13(2)14-6-8-15(21-4)9-7-14/h6-9,13,19H,5,10-12H2,1-4H3,(H,18,20).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide?
N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide has a molecular weight of 293.41 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 110002569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).