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

C16H25NO3 — CID 43909571

IUPAC2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NCCC(C)C
InChIInChI=1S/C16H25NO3/c1-5-15(16(18)17-10-9-12(2)3)20-14-8-6-7-13(11-14)19-4/h6-8,11-12,15H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyVLCSYQQGRJXOEZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.01
Rot. Bonds8

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

2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide (PubChem CID 43909571) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
PubChem CID43909571
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NCCC(C)C
InChIInChI=1S/C16H25NO3/c1-5-15(16(18)17-10-9-12(2)3)20-14-8-6-7-13(11-14)19-4/h6-8,11-12,15H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyVLCSYQQGRJXOEZ-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

2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 21367307
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
(2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide
CID 92676242
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide
CID 133240098
2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250034
(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169
(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
CID 9180328
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 94019358

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide (CID 43909571) is 2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide is CCC(Oc1cccc(OC)c1)C(=O)NCCC(C)C.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide?
The InChIKey is VLCSYQQGRJXOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-15(16(18)17-10-9-12(2)3)20-14-8-6-7-13(11-14)19-4/h6-8,11-12,15H,5,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide?
2-(3-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-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 43909571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).