(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide

C13H19NO3 — CID 124561354

IUPAC(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
SMILESCCNC(=O)[C@@H](CC)Oc1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-12(13(15)14-5-2)17-11-8-6-10(16-3)7-9-11/h6-9,12H,4-5H2,1-3H3,(H,14,15)/t12-/m1/s1
InChIKeyNINOKSACPHABSE-GFCCVEGCSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds6

About (2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide

(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide (PubChem CID 124561354) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
PubChem CID124561354
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
SMILESCCNC(=O)[C@@H](CC)Oc1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-12(13(15)14-5-2)17-11-8-6-10(16-3)7-9-11/h6-9,12H,4-5H2,1-3H3,(H,14,15)/t12-/m1/s1
InChIKeyNINOKSACPHABSE-GFCCVEGCSA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 21367307
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide
CID 124561337
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2S)-2-(4-methoxyphenoxy)butanoate
CID 7269180
2-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 25252608
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
CID 132655794
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 133164242

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide?
The IUPAC name of (2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide (CID 124561354) is (2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for (2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide?
The canonical SMILES for (2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide is CCNC(=O)[C@@H](CC)Oc1ccc(OC)cc1.
What is the InChIKey of (2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide?
The InChIKey is NINOKSACPHABSE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-12(13(15)14-5-2)17-11-8-6-10(16-3)7-9-11/h6-9,12H,4-5H2,1-3H3,(H,14,15)/t12-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide?
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide has a molecular weight of 237.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 124561354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).