2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide

C21H27NO4 — CID 133240125

IUPAC2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)NCCOc1ccccc1OC
InChIInChI=1S/C21H27NO4/c1-5-17(26-18-12-8-9-15(2)16(18)3)21(23)22-13-14-25-20-11-7-6-10-19(20)24-4/h6-12,17H,5,13-14H2,1-4H3,(H,22,23)
InChIKeyXMUURJGRCKNKKP-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.66
Rot. Bonds9

About 2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide

2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide (PubChem CID 133240125) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
PubChem CID133240125
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)NCCOc1ccccc1OC
InChIInChI=1S/C21H27NO4/c1-5-17(26-18-12-8-9-15(2)16(18)3)21(23)22-13-14-25-20-11-7-6-10-19(20)24-4/h6-12,17H,5,13-14H2,1-4H3,(H,22,23)
InChIKeyXMUURJGRCKNKKP-UHFFFAOYSA-N
XLogP3.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133240129
2-(2-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133239943
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211089
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
(2S)-2-(2,3-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 92677341
2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 46778407
(2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 92647459
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
(2R)-N-(2-benzylsulfanylethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99954618
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 30381733
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide (CID 133240125) is 2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide is CCC(Oc1cccc(C)c1C)C(=O)NCCOc1ccccc1OC.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide?
The InChIKey is XMUURJGRCKNKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-17(26-18-12-8-9-15(2)16(18)3)21(23)22-13-14-25-20-11-7-6-10-19(20)24-4/h6-12,17H,5,13-14H2,1-4H3,(H,22,23).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide?
2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide has a molecular weight of 357.45 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide is sourced from PubChem (CID 133240125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).