4-hydroxy-4-(4-methylphenyl)pentanamide

C12H17NO2 — CID 57276196

IUPAC4-hydroxy-4-(4-methylphenyl)pentanamide
SMILESCc1ccc(C(C)(O)CCC(N)=O)cc1
InChIInChI=1S/C12H17NO2/c1-9-3-5-10(6-4-9)12(2,15)8-7-11(13)14/h3-6,15H,7-8H2,1-2H3,(H2,13,14)
InChIKeyMGYQFQJNQJVYCG-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.47
Rot. Bonds4

About 4-hydroxy-4-(4-methylphenyl)pentanamide

4-hydroxy-4-(4-methylphenyl)pentanamide (PubChem CID 57276196) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-hydroxy-4-(4-methylphenyl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-4-(4-methylphenyl)pentanamide
PubChem CID57276196
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-hydroxy-4-(4-methylphenyl)pentanamide
SMILESCc1ccc(C(C)(O)CCC(N)=O)cc1
InChIInChI=1S/C12H17NO2/c1-9-3-5-10(6-4-9)12(2,15)8-7-11(13)14/h3-6,15H,7-8H2,1-2H3,(H2,13,14)
InChIKeyMGYQFQJNQJVYCG-UHFFFAOYSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(4-methylphenyl)pentanamide?
The IUPAC name of 4-hydroxy-4-(4-methylphenyl)pentanamide (CID 57276196) is 4-hydroxy-4-(4-methylphenyl)pentanamide.
What is the SMILES notation for 4-hydroxy-4-(4-methylphenyl)pentanamide?
The canonical SMILES for 4-hydroxy-4-(4-methylphenyl)pentanamide is Cc1ccc(C(C)(O)CCC(N)=O)cc1.
What is the InChIKey of 4-hydroxy-4-(4-methylphenyl)pentanamide?
The InChIKey is MGYQFQJNQJVYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-3-5-10(6-4-9)12(2,15)8-7-11(13)14/h3-6,15H,7-8H2,1-2H3,(H2,13,14).
What are the key properties of 4-hydroxy-4-(4-methylphenyl)pentanamide?
4-hydroxy-4-(4-methylphenyl)pentanamide has a molecular weight of 207.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(4-methylphenyl)pentanamide is sourced from PubChem (CID 57276196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).