2-(4-methylphenoxy)butanamide

C11H15NO2 — CID 4980758

IUPAC2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(N)=O
InChIInChI=1S/C11H15NO2/c1-3-10(11(12)13)14-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H2,12,13)
InChIKeyZTGBWLMJZWNQBR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.64
Rot. Bonds4

About 2-(4-methylphenoxy)butanamide

2-(4-methylphenoxy)butanamide (PubChem CID 4980758) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)butanamide
PubChem CID4980758
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(N)=O
InChIInChI=1S/C11H15NO2/c1-3-10(11(12)13)14-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H2,12,13)
InChIKeyZTGBWLMJZWNQBR-UHFFFAOYSA-N
XLogP1.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
2-(4-ethoxyphenoxy)butanamide
CID 62901060
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
2-[4-(methylaminomethyl)phenoxy]butanamide
CID 62900383
4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride
CID 82916384
2-(4-methylphenoxy)-3-thiophen-2-ylpropanamide
CID 135281307
2-(3-aminophenoxy)butanamide
CID 62901524
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 9179988
(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
CID 9180328
4-(1-amino-1-oxobutan-2-yl)oxy-2-fluorobenzoic acid
CID 107675391

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)butanamide?
The IUPAC name of 2-(4-methylphenoxy)butanamide (CID 4980758) is 2-(4-methylphenoxy)butanamide.
What is the SMILES notation for 2-(4-methylphenoxy)butanamide?
The canonical SMILES for 2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(N)=O.
What is the InChIKey of 2-(4-methylphenoxy)butanamide?
The InChIKey is ZTGBWLMJZWNQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-10(11(12)13)14-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H2,12,13).
What are the key properties of 2-(4-methylphenoxy)butanamide?
2-(4-methylphenoxy)butanamide has a molecular weight of 193.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 4980758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).