2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide

C20H25NO3 — CID 43875959

IUPAC2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C20H25NO3/c1-5-19(24-18-8-6-7-17(13-18)23-4)20(22)21-15(3)16-11-9-14(2)10-12-16/h6-13,15,19H,5H2,1-4H3,(H,21,22)
InChIKeyDQOGQKLGIKPHLS-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.04
Rot. Bonds7

About 2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide

2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide (PubChem CID 43875959) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
PubChem CID43875959
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C20H25NO3/c1-5-19(24-18-8-6-7-17(13-18)23-4)20(22)21-15(3)16-11-9-14(2)10-12-16/h6-13,15,19H,5H2,1-4H3,(H,21,22)
InChIKeyDQOGQKLGIKPHLS-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43917030
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 28631604
(2S)-2-(3,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133215
(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 94018818
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
CID 99132910
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93487474
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012273
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132352
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 28574092

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide (CID 43875959) is 2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide is CCC(Oc1cccc(OC)c1)C(=O)NC(C)c1ccc(C)cc1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide?
The InChIKey is DQOGQKLGIKPHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-19(24-18-8-6-7-17(13-18)23-4)20(22)21-15(3)16-11-9-14(2)10-12-16/h6-13,15,19H,5H2,1-4H3,(H,21,22).
What are the key properties of 2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide?
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide has a molecular weight of 327.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 43875959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).