2-(3-methoxyphenoxy)-N,N-dimethylbutanamide

C13H19NO3 — CID 46778420

IUPAC2-(3-methoxyphenoxy)-N,N-dimethylbutanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)N(C)C
InChIInChI=1S/C13H19NO3/c1-5-12(13(15)14(2)3)17-11-8-6-7-10(9-11)16-4/h6-9,12H,5H2,1-4H3
InChIKeyYHWAFLSOVMCXDO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.94
Rot. Bonds5

About 2-(3-methoxyphenoxy)-N,N-dimethylbutanamide

2-(3-methoxyphenoxy)-N,N-dimethylbutanamide (PubChem CID 46778420) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N,N-dimethylbutanamide
PubChem CID46778420
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(3-methoxyphenoxy)-N,N-dimethylbutanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)N(C)C
InChIInChI=1S/C13H19NO3/c1-5-12(13(15)14(2)3)17-11-8-6-7-10(9-11)16-4/h6-9,12H,5H2,1-4H3
InChIKeyYHWAFLSOVMCXDO-UHFFFAOYSA-N
XLogP1.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,N-diethyl-2-(3-methoxyphenoxy)butanamide
CID 99950238
(2R)-2-(3-methoxyphenoxy)butanoate
CID 7022552
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
2-[4-(2,4-dimethoxyphenyl)naphthalen-1-yl]oxy-N,N-dimethylbutanamide
CID 176503504
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169
2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250034
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N,N-dimethylbutanamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N,N-dimethylbutanamide (CID 46778420) is 2-(3-methoxyphenoxy)-N,N-dimethylbutanamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N,N-dimethylbutanamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N,N-dimethylbutanamide is CCC(Oc1cccc(OC)c1)C(=O)N(C)C.
What is the InChIKey of 2-(3-methoxyphenoxy)-N,N-dimethylbutanamide?
The InChIKey is YHWAFLSOVMCXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-12(13(15)14(2)3)17-11-8-6-7-10(9-11)16-4/h6-9,12H,5H2,1-4H3.
What are the key properties of 2-(3-methoxyphenoxy)-N,N-dimethylbutanamide?
2-(3-methoxyphenoxy)-N,N-dimethylbutanamide has a molecular weight of 237.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N,N-dimethylbutanamide is sourced from PubChem (CID 46778420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).