4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide

C16H25NO2 — CID 79201139

IUPAC4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
SMILESCC(C)CC(NC(=O)CCC(C)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(2)11-15(14-7-5-4-6-8-14)17-16(19)10-9-13(3)18/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,17,19)
InChIKeyYHVSHAGVTRBRIK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.05
Rot. Bonds7

About 4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide

4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide (PubChem CID 79201139) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
PubChem CID79201139
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
SMILESCC(C)CC(NC(=O)CCC(C)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(2)11-15(14-7-5-4-6-8-14)17-16(19)10-9-13(3)18/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,17,19)
InChIKeyYHVSHAGVTRBRIK-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide
CID 107908811
7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
CID 119689313
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 133187263
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide
CID 94404650
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8913845

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide?
The IUPAC name of 4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide (CID 79201139) is 4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide?
The canonical SMILES for 4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide is CC(C)CC(NC(=O)CCC(C)O)c1ccccc1.
What is the InChIKey of 4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide?
The InChIKey is YHVSHAGVTRBRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)11-15(14-7-5-4-6-8-14)17-16(19)10-9-13(3)18/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,17,19).
What are the key properties of 4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide?
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide has a molecular weight of 263.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide is sourced from PubChem (CID 79201139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).