N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide

C13H19NO4 — CID 43471524

IUPACN-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide
SMILESCCNC(=O)C(C)Oc1c(CO)cccc1OC
InChIInChI=1S/C13H19NO4/c1-4-14-13(16)9(2)18-12-10(8-15)6-5-7-11(12)17-3/h5-7,9,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyFKMAPTYBSCMQSH-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.09
Rot. Bonds6

About N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide

N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide (PubChem CID 43471524) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide
PubChem CID43471524
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide
SMILESCCNC(=O)C(C)Oc1c(CO)cccc1OC
InChIInChI=1S/C13H19NO4/c1-4-14-13(16)9(2)18-12-10(8-15)6-5-7-11(12)17-3/h5-7,9,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyFKMAPTYBSCMQSH-UHFFFAOYSA-N
XLogP1.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide
CID 60904970
(3-methoxy-2-pentan-2-yloxyphenyl)methanol
CID 107892192
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide
CID 43471430
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43471427
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 115956282
2-naphthalen-1-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 132660138
N-ethyl-2-(2-hydroxyphenoxy)propanamide
CID 43143422
2-(2,6-dimethoxyphenoxy)propanehydrazide
CID 63575102
2-[2-(hydroxymethyl)-6-methoxyphenoxy]acetamide
CID 964386

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide?
The IUPAC name of N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide (CID 43471524) is N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide.
What is the SMILES notation for N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide?
The canonical SMILES for N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide is CCNC(=O)C(C)Oc1c(CO)cccc1OC.
What is the InChIKey of N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide?
The InChIKey is FKMAPTYBSCMQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-14-13(16)9(2)18-12-10(8-15)6-5-7-11(12)17-3/h5-7,9,15H,4,8H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide?
N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide has a molecular weight of 253.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide is sourced from PubChem (CID 43471524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).