N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide

C20H25NO4 — CID 2862617

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-4-17(25-16-8-6-5-7-9-16)20(22)21-13-12-15-10-11-18(23-2)19(14-15)24-3/h5-11,14,17H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyFCPYWJGCJHLWJU-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.22
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide (PubChem CID 2862617) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
PubChem CID2862617
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-4-17(25-16-8-6-5-7-9-16)20(22)21-13-12-15-10-11-18(23-2)19(14-15)24-3/h5-11,14,17H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyFCPYWJGCJHLWJU-UHFFFAOYSA-N
XLogP3.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 99953693
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 43908219
2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659526
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide
CID 43916329
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 92680845
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide (CID 2862617) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide?
The InChIKey is FCPYWJGCJHLWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-17(25-16-8-6-5-7-9-16)20(22)21-13-12-15-10-11-18(23-2)19(14-15)24-3/h5-11,14,17H,4,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide has a molecular weight of 343.42 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide is sourced from PubChem (CID 2862617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).