2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide

C16H25NO3 — CID 133250034

IUPAC2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NC(C)C(C)C
InChIInChI=1S/C16H25NO3/c1-6-15(16(18)17-12(4)11(2)3)20-14-9-7-8-13(10-14)19-5/h7-12,15H,6H2,1-5H3,(H,17,18)
InChIKeyPFGIJGPUKXYVMY-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.01
Rot. Bonds7

About 2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide

2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide (PubChem CID 133250034) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
PubChem CID133250034
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NC(C)C(C)C
InChIInChI=1S/C16H25NO3/c1-6-15(16(18)17-12(4)11(2)3)20-14-9-7-8-13(10-14)19-5/h7-12,15H,6H2,1-5H3,(H,17,18)
InChIKeyPFGIJGPUKXYVMY-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43875959
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250067
(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569042
(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 28577552
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 28631604
(2R)-2-(4-fluorophenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569000
(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 94018818

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide (CID 133250034) is 2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide is CCC(Oc1cccc(OC)c1)C(=O)NC(C)C(C)C.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide?
The InChIKey is PFGIJGPUKXYVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-15(16(18)17-12(4)11(2)3)20-14-9-7-8-13(10-14)19-5/h7-12,15H,6H2,1-5H3,(H,17,18).
What are the key properties of 2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide?
2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide has a molecular weight of 279.38 g/mol, XLogP of 3.01, 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-(3-methylbutan-2-yl)butanamide is sourced from PubChem (CID 133250034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).