N-(3-hydroxy-3-phenylpropyl)butanamide;propane

C16H27NO2 — CID 143470750

IUPACN-(3-hydroxy-3-phenylpropyl)butanamide;propane
SMILESCCC.CCCC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C13H19NO2.C3H8/c1-2-6-13(16)14-10-9-12(15)11-7-4-3-5-8-11;1-3-2/h3-5,7-8,12,15H,2,6,9-10H2,1H3,(H,14,16);3H2,1-2H3
InChIKeyJKDFITTXOOQUON-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.44
Rot. Bonds6

About N-(3-hydroxy-3-phenylpropyl)butanamide;propane

N-(3-hydroxy-3-phenylpropyl)butanamide;propane (PubChem CID 143470750) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)butanamide;propane.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)butanamide;propane
PubChem CID143470750
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(3-hydroxy-3-phenylpropyl)butanamide;propane
SMILESCCC.CCCC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C13H19NO2.C3H8/c1-2-6-13(16)14-10-9-12(15)11-7-4-3-5-8-11;1-3-2/h3-5,7-8,12,15H,2,6,9-10H2,1H3,(H,14,16);3H2,1-2H3
InChIKeyJKDFITTXOOQUON-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
2-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111661950
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
CID 111471528
N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 111471683
4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide
CID 111471521
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652
N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide
CID 109476501
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)butanamide;propane?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)butanamide;propane (CID 143470750) is N-(3-hydroxy-3-phenylpropyl)butanamide;propane.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)butanamide;propane?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)butanamide;propane is CCC.CCCC(=O)NCCC(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)butanamide;propane?
The InChIKey is JKDFITTXOOQUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C3H8/c1-2-6-13(16)14-10-9-12(15)11-7-4-3-5-8-11;1-3-2/h3-5,7-8,12,15H,2,6,9-10H2,1H3,(H,14,16);3H2,1-2H3.
What are the key properties of N-(3-hydroxy-3-phenylpropyl)butanamide;propane?
N-(3-hydroxy-3-phenylpropyl)butanamide;propane has a molecular weight of 265.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)butanamide;propane is sourced from PubChem (CID 143470750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).