5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide

C13H19NO3 — CID 112510105

IUPAC5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide
SMILESCOc1ccc(C(O)CCCC(N)=O)cc1C
InChIInChI=1S/C13H19NO3/c1-9-8-10(6-7-12(9)17-2)11(15)4-3-5-13(14)16/h6-8,11,15H,3-5H2,1-2H3,(H2,14,16)
InChIKeyVWISMBBXTRFNRY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.69
Rot. Bonds6

About 5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide

5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide (PubChem CID 112510105) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide
PubChem CID112510105
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide
SMILESCOc1ccc(C(O)CCCC(N)=O)cc1C
InChIInChI=1S/C13H19NO3/c1-9-8-10(6-7-12(9)17-2)11(15)4-3-5-13(14)16/h6-8,11,15H,3-5H2,1-2H3,(H2,14,16)
InChIKeyVWISMBBXTRFNRY-UHFFFAOYSA-N
XLogP1.69
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
4-hydroxy-4-(4-methoxy-3-propan-2-ylphenyl)butanamide
CID 112510486
3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 171899098
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(4-methoxy-3-methylphenyl)pent-4-yn-1-ol
CID 63893974
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
4-amino-4-(3,4-dimethoxyphenyl)butanamide
CID 60862827
(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol
CID 96823282
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
CID 171233352

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide?
The IUPAC name of 5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide (CID 112510105) is 5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide.
What is the SMILES notation for 5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide?
The canonical SMILES for 5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide is COc1ccc(C(O)CCCC(N)=O)cc1C.
What is the InChIKey of 5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide?
The InChIKey is VWISMBBXTRFNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-8-10(6-7-12(9)17-2)11(15)4-3-5-13(14)16/h6-8,11,15H,3-5H2,1-2H3,(H2,14,16).
What are the key properties of 5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide?
5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide has a molecular weight of 237.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide is sourced from PubChem (CID 112510105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).