N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide

C16H25NO4 — CID 78933708

IUPACN,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc([C@H](C)O)cc1OC
InChIInChI=1S/C16H25NO4/c1-6-17(7-2)16(19)12(4)21-14-9-8-13(11(3)18)10-15(14)20-5/h8-12,18H,6-7H2,1-5H3/t11-,12?/m0/s1
InChIKeyYSGWPOOSEDRRMS-PXYINDEMSA-N
MW295.38 g/mol
LogP2.38
Rot. Bonds7

About N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide

N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide (PubChem CID 78933708) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
PubChem CID78933708
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc([C@H](C)O)cc1OC
InChIInChI=1S/C16H25NO4/c1-6-17(7-2)16(19)12(4)21-14-9-8-13(11(3)18)10-15(14)20-5/h8-12,18H,6-7H2,1-5H3/t11-,12?/m0/s1
InChIKeyYSGWPOOSEDRRMS-PXYINDEMSA-N
XLogP2.38
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
CID 43115697
N-ethyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propanamide
CID 43503787
(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
CID 63364627
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78931098
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
CID 78996903
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
CID 64662178
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 78931101
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N,N-dimethylpropanamide
CID 43279455
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
CID 60905451
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanenitrile
CID 55190404
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide?
The IUPAC name of N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide (CID 78933708) is N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide.
What is the SMILES notation for N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide?
The canonical SMILES for N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide is CCN(CC)C(=O)C(C)Oc1ccc([C@H](C)O)cc1OC.
What is the InChIKey of N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide?
The InChIKey is YSGWPOOSEDRRMS-PXYINDEMSA-N. The full InChI is InChI=1S/C16H25NO4/c1-6-17(7-2)16(19)12(4)21-14-9-8-13(11(3)18)10-15(14)20-5/h8-12,18H,6-7H2,1-5H3/t11-,12?/m0/s1.
What are the key properties of N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide?
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide has a molecular weight of 295.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide is sourced from PubChem (CID 78933708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).