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

C13H19NO2 — CID 122378996

IUPAC(3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide
SMILESCCN(CC)C(=O)C[C@@H](O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-14(4-2)13(16)10-12(15)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3/t12-/m1/s1
InChIKeyORUFFNOSWLAXIB-GFCCVEGCSA-N
MW221.30 g/mol
LogP1.98
Rot. Bonds5

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

(3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide (PubChem CID 122378996) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide
PubChem CID122378996
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide
SMILESCCN(CC)C(=O)C[C@@H](O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-14(4-2)13(16)10-12(15)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3/t12-/m1/s1
InChIKeyORUFFNOSWLAXIB-GFCCVEGCSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylamino)-1-phenylpropan-1-ol
CID 110665
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
Secoclausenamide
CID 10424832
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
D-erythro-MAPP
CID 124735
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]dodecanamide
CID 11046702
N-(2-Hydroxy-1-methyl-2-phenylethyl)-N-methylacetamide
CID 27869
Secodemethylclausenamide
CID 70378439
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide
CID 11080284
2-[1-Hydroxy-3-((E)-3-hydroxy-7-phenyl-hept-1-enyl)-cyclohexyl]-N,N-dimethyl-acetamide
CID 10090758
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide
CID 11035480

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide?
The IUPAC name of (3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide (CID 122378996) is (3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide.
What is the SMILES notation for (3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide?
The canonical SMILES for (3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide is CCN(CC)C(=O)C[C@@H](O)c1ccccc1.
What is the InChIKey of (3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide?
The InChIKey is ORUFFNOSWLAXIB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14(4-2)13(16)10-12(15)11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide?
(3R)-N,N-diethyl-3-hydroxy-3-phenylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.98, 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-phenylpropanamide is sourced from PubChem (CID 122378996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).