(3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide

C14H21NO2 — CID 139262552

IUPAC(3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide
SMILESCCN(CC)C(=O)C[C@@](C)(O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)13(16)11-14(3,17)12-9-7-6-8-10-12/h6-10,17H,4-5,11H2,1-3H3/t14-/m1/s1
InChIKeyIQRFOFYEPUGPDE-CQSZACIVSA-N
MW235.33 g/mol
LogP2.15
Rot. Bonds5

About (3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide

(3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide (PubChem CID 139262552) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide
PubChem CID139262552
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide
SMILESCCN(CC)C(=O)C[C@@](C)(O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-15(5-2)13(16)11-14(3,17)12-9-7-6-8-10-12/h6-10,17H,4-5,11H2,1-3H3/t14-/m1/s1
InChIKeyIQRFOFYEPUGPDE-CQSZACIVSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

beta-Ethyl-beta-hydroxybenzenepropanamide
CID 64814
1-[4-(3-Fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
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Cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 1446508
3-Hydroxy-1-methyl-3-phenyl-2-piperidinone
CID 135950
Benzilamide, N-(2-(diethylamino)ethyl)-N-methyl-, monohydrochloride
CID 200225
Glutaramide, N,N-diethyl-2-hydroxy-2-phenyl-
CID 211249
Benzomethamine bromide
CID 19655
N,N-Diethyl-2-hydroxy-2-phenylacetamide
CID 121583
N,N-Diethyl-2-((2-hydroxy-2,2-diphenylacetyl)methylamino)-N-methylethanaminium
CID 10520
2-(1-hydroxycyclohexyl)-2-phenyl-N,N-dipropylacetamide
CID 236254
1-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-ethanone
CID 645006
2-[(1S,3S)-1-hydroxy-3-[(E)-3-hydroxy-3-methyl-7-phenylhept-1-enyl]cyclohexyl]-N,N-dimethylacetamide
CID 10738975

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide?
The IUPAC name of (3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide (CID 139262552) is (3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for (3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for (3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide is CCN(CC)C(=O)C[C@@](C)(O)c1ccccc1.
What is the InChIKey of (3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide?
The InChIKey is IQRFOFYEPUGPDE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-15(5-2)13(16)11-14(3,17)12-9-7-6-8-10-12/h6-10,17H,4-5,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide?
(3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 139262552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).