N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide

C16H23NO3 — CID 111447676

IUPACN-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide
SMILESCC(O)CC(C)CNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-12(10-13(2)18)11-17-16(20)9-8-15(19)14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3,(H,17,20)
InChIKeyRYKKYNZHDDIWLJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.17
Rot. Bonds8

About N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide

N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide (PubChem CID 111447676) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide
PubChem CID111447676
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide
SMILESCC(O)CC(C)CNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-12(10-13(2)18)11-17-16(20)9-8-15(19)14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3,(H,17,20)
InChIKeyRYKKYNZHDDIWLJ-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447249
4-(3,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447209
N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 120829828
N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride
CID 119997393
3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide
CID 111447233
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
CID 111450915
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
5-hydroxy-1-phenylhexane-1,4-dione
CID 102259650
N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide
CID 111447562
N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide
CID 9480707
N-but-3-ynyl-4-oxo-4-phenylbutanamide
CID 90537846

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide (CID 111447676) is N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide is CC(O)CC(C)CNC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide?
The InChIKey is RYKKYNZHDDIWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(10-13(2)18)11-17-16(20)9-8-15(19)14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide?
N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide has a molecular weight of 277.36 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 111447676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).