N,N-diethyl-2-hydroxy-3-phenylpropanamide

C13H19NO2 — CID 102481935

IUPACN,N-diethyl-2-hydroxy-3-phenylpropanamide
SMILESCCN(CC)C(=O)C(O)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-14(4-2)13(16)12(15)10-11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3
InChIKeyLYMKFQDGTZGCML-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.46
Rot. Bonds5

About N,N-diethyl-2-hydroxy-3-phenylpropanamide

N,N-diethyl-2-hydroxy-3-phenylpropanamide (PubChem CID 102481935) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N,N-diethyl-2-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-2-hydroxy-3-phenylpropanamide
PubChem CID102481935
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN,N-diethyl-2-hydroxy-3-phenylpropanamide
SMILESCCN(CC)C(=O)C(O)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-3-14(4-2)13(16)12(15)10-11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3
InChIKeyLYMKFQDGTZGCML-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 18771503
2-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910157
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
N-ethyl-2-hydroxy-3-phenylpropanamide
CID 13215108
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
2-chloro-N,N-diethyl-4-phenylbutanamide
CID 62880249
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-hydroxy-3-phenylpropanamide?
The IUPAC name of N,N-diethyl-2-hydroxy-3-phenylpropanamide (CID 102481935) is N,N-diethyl-2-hydroxy-3-phenylpropanamide.
What is the SMILES notation for N,N-diethyl-2-hydroxy-3-phenylpropanamide?
The canonical SMILES for N,N-diethyl-2-hydroxy-3-phenylpropanamide is CCN(CC)C(=O)C(O)Cc1ccccc1.
What is the InChIKey of N,N-diethyl-2-hydroxy-3-phenylpropanamide?
The InChIKey is LYMKFQDGTZGCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14(4-2)13(16)12(15)10-11-8-6-5-7-9-11/h5-9,12,15H,3-4,10H2,1-2H3.
What are the key properties of N,N-diethyl-2-hydroxy-3-phenylpropanamide?
N,N-diethyl-2-hydroxy-3-phenylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 102481935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).