2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide

C16H25NO3 — CID 21367307

IUPAC2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)NCCC(C)C
InChIInChI=1S/C16H25NO3/c1-5-15(16(18)17-11-10-12(2)3)20-14-8-6-13(19-4)7-9-14/h6-9,12,15H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyRHAURHOFSFNQBZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.01
Rot. Bonds8

About 2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide

2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide (PubChem CID 21367307) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
PubChem CID21367307
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)NCCC(C)C
InChIInChI=1S/C16H25NO3/c1-5-15(16(18)17-11-10-12(2)3)20-14-8-6-13(19-4)7-9-14/h6-9,12,15H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyRHAURHOFSFNQBZ-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
CID 9180328
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide
CID 124561337
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
CID 132655794
2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
CID 110316942

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide (CID 21367307) is 2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide is CCC(Oc1ccc(OC)cc1)C(=O)NCCC(C)C.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide?
The InChIKey is RHAURHOFSFNQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-15(16(18)17-11-10-12(2)3)20-14-8-6-13(19-4)7-9-14/h6-9,12,15H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide?
2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide has a molecular weight of 279.38 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 21367307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).