N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide

C15H23NO4 — CID 43115697

IUPACN,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(CO)cc1OC
InChIInChI=1S/C15H23NO4/c1-5-16(6-2)15(18)11(3)20-13-8-7-12(10-17)9-14(13)19-4/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyISCSVWMJOFMYDU-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.82
Rot. Bonds7

About N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide

N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide (PubChem CID 43115697) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
PubChem CID43115697
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(CO)cc1OC
InChIInChI=1S/C15H23NO4/c1-5-16(6-2)15(18)11(3)20-13-8-7-12(10-17)9-14(13)19-4/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyISCSVWMJOFMYDU-UHFFFAOYSA-N
XLogP1.82
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
CID 60905451
2-[5-(aminomethyl)-2-methylphenoxy]-N,N-diethylpropanamide
CID 107655685
(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
CID 107663541
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylpropanamide
CID 60908130
2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43117670
[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
CID 86906891
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N,N-diethylpropanamide
CID 43122406
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide?
The IUPAC name of N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide (CID 43115697) is N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide.
What is the SMILES notation for N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide?
The canonical SMILES for N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide is CCN(CC)C(=O)C(C)Oc1ccc(CO)cc1OC.
What is the InChIKey of N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide?
The InChIKey is ISCSVWMJOFMYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-16(6-2)15(18)11(3)20-13-8-7-12(10-17)9-14(13)19-4/h7-9,11,17H,5-6,10H2,1-4H3.
What are the key properties of N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide?
N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide has a molecular weight of 281.35 g/mol, XLogP of 1.82, 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-(hydroxymethyl)-2-methoxyphenoxy]propanamide is sourced from PubChem (CID 43115697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).