N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide

C16H23NO3 — CID 110026341

IUPACN-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
SMILESCC(C)(C)C(=O)CNC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-15(2,3)13(18)11-17-14(19)10-16(4,20)12-8-6-5-7-9-12/h5-9,20H,10-11H2,1-4H3,(H,17,19)
InChIKeyJLKLBHAYQRXXRT-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.02
Rot. Bonds5

About N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide

N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide (PubChem CID 110026341) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
PubChem CID110026341
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
SMILESCC(C)(C)C(=O)CNC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-15(2,3)13(18)11-17-14(19)10-16(4,20)12-8-6-5-7-9-12/h5-9,20H,10-11H2,1-4H3,(H,17,19)
InChIKeyJLKLBHAYQRXXRT-UHFFFAOYSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
3-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenylbutanamide
CID 110025113
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110026477
3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenylbutanamide
CID 110024517
N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide
CID 64991414
N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110025114
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110024390
4-(carboxymethylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 54868024
4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 110024530
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide
CID 110025454
3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide
CID 110026094

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide (CID 110026341) is N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide is CC(C)(C)C(=O)CNC(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide?
The InChIKey is JLKLBHAYQRXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-15(2,3)13(18)11-17-14(19)10-16(4,20)12-8-6-5-7-9-12/h5-9,20H,10-11H2,1-4H3,(H,17,19).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide?
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide has a molecular weight of 277.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110026341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).