3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide

C19H23NO3 — CID 110025392

IUPAC3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
SMILESCC(O)(CNC(=O)CC(C)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-18(22,15-9-5-3-6-10-15)13-17(21)20-14-19(2,23)16-11-7-4-8-12-16/h3-12,22-23H,13-14H2,1-2H3,(H,20,21)
InChIKeyLEEDHZFYFRFNKW-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.31
Rot. Bonds6

About 3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide

3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide (PubChem CID 110025392) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
PubChem CID110025392
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
SMILESCC(O)(CNC(=O)CC(C)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-18(22,15-9-5-3-6-10-15)13-17(21)20-14-19(2,23)16-11-7-4-8-12-16/h3-12,22-23H,13-14H2,1-2H3,(H,20,21)
InChIKeyLEEDHZFYFRFNKW-UHFFFAOYSA-N
XLogP2.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341
N-(2-hydroxy-2-phenylpropyl)-2-naphthalen-2-ylacetamide
CID 111335174
2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977
3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenylbutanamide
CID 110024517
4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 110024530
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
3-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenylbutanamide
CID 110025113
N-(2-hydroxy-2-phenylpropyl)-2-thiophen-2-ylacetamide
CID 110663974
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110026477
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
CID 111334880

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide (CID 110025392) is 3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide is CC(O)(CNC(=O)CC(C)(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide?
The InChIKey is LEEDHZFYFRFNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-18(22,15-9-5-3-6-10-15)13-17(21)20-14-19(2,23)16-11-7-4-8-12-16/h3-12,22-23H,13-14H2,1-2H3,(H,20,21).
What are the key properties of 3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide?
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide has a molecular weight of 313.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide is sourced from PubChem (CID 110025392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).