N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide

C19H23NO3 — CID 53286332

IUPACN-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCc1ccccc1OC
InChIInChI=1S/C19H23NO3/c1-4-17(23-16-11-9-14(2)10-12-16)19(21)20-13-15-7-5-6-8-18(15)22-3/h5-12,17H,4,13H2,1-3H3,(H,20,21)
InChIKeyYQPPXCXOAIFSQG-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.48
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide

N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide (PubChem CID 53286332) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
PubChem CID53286332
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCc1ccccc1OC
InChIInChI=1S/C19H23NO3/c1-4-17(23-16-11-9-14(2)10-12-16)19(21)20-13-15-7-5-6-8-18(15)22-3/h5-12,17H,4,13H2,1-3H3,(H,20,21)
InChIKeyYQPPXCXOAIFSQG-UHFFFAOYSA-N
XLogP3.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide
CID 132653687
N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132652282
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 54785489
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 92676257
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide
CID 54785530
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide (CID 53286332) is N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)NCc1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide?
The InChIKey is YQPPXCXOAIFSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-17(23-16-11-9-14(2)10-12-16)19(21)20-13-15-7-5-6-8-18(15)22-3/h5-12,17H,4,13H2,1-3H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide?
N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 53286332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).