ethane;N-ethyl-3-hydroxy-3-phenylpropanamide

C13H21NO2 — CID 143411629

IUPACethane;N-ethyl-3-hydroxy-3-phenylpropanamide
SMILESCC.CCNC(=O)CC(O)c1ccccc1
InChIInChI=1S/C11H15NO2.C2H6/c1-2-12-11(14)8-10(13)9-6-4-3-5-7-9;1-2/h3-7,10,13H,2,8H2,1H3,(H,12,14);1-2H3
InChIKeyOQUFAEUXCIWOHJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.27
Rot. Bonds4

About ethane;N-ethyl-3-hydroxy-3-phenylpropanamide

ethane;N-ethyl-3-hydroxy-3-phenylpropanamide (PubChem CID 143411629) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;N-ethyl-3-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Nameethane;N-ethyl-3-hydroxy-3-phenylpropanamide
PubChem CID143411629
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameethane;N-ethyl-3-hydroxy-3-phenylpropanamide
SMILESCC.CCNC(=O)CC(O)c1ccccc1
InChIInChI=1S/C11H15NO2.C2H6/c1-2-12-11(14)8-10(13)9-6-4-3-5-7-9;1-2/h3-7,10,13H,2,8H2,1H3,(H,12,14);1-2H3
InChIKeyOQUFAEUXCIWOHJ-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
ethane;N-ethyl-2-phenylacetamide;molecular hydrogen
CID 167457544
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
N-(ethylcarbamoyl)-2-(2-hydroxy-2-phenylethyl)sulfanylacetamide
CID 47443078
3,3-diphenyl-N-propylpropanamide
CID 4638647
(1R,4R)-1-hydroxy-4-methyl-1-phenylhexan-3-one
CID 131864107
3-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]pentanedioic acid
CID 174644675
N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9224578

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-3-hydroxy-3-phenylpropanamide?
The IUPAC name of ethane;N-ethyl-3-hydroxy-3-phenylpropanamide (CID 143411629) is ethane;N-ethyl-3-hydroxy-3-phenylpropanamide.
What is the SMILES notation for ethane;N-ethyl-3-hydroxy-3-phenylpropanamide?
The canonical SMILES for ethane;N-ethyl-3-hydroxy-3-phenylpropanamide is CC.CCNC(=O)CC(O)c1ccccc1.
What is the InChIKey of ethane;N-ethyl-3-hydroxy-3-phenylpropanamide?
The InChIKey is OQUFAEUXCIWOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C2H6/c1-2-12-11(14)8-10(13)9-6-4-3-5-7-9;1-2/h3-7,10,13H,2,8H2,1H3,(H,12,14);1-2H3.
What are the key properties of ethane;N-ethyl-3-hydroxy-3-phenylpropanamide?
ethane;N-ethyl-3-hydroxy-3-phenylpropanamide has a molecular weight of 223.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-3-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 143411629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).