3-(4-butan-2-ylphenoxy)-2-methylpropanamide

C14H21NO2 — CID 107669112

IUPAC3-(4-butan-2-ylphenoxy)-2-methylpropanamide
SMILESCCC(C)c1ccc(OCC(C)C(N)=O)cc1
InChIInChI=1S/C14H21NO2/c1-4-10(2)12-5-7-13(8-6-12)17-9-11(3)14(15)16/h5-8,10-11H,4,9H2,1-3H3,(H2,15,16)
InChIKeyOFJRGUNRJBZHFJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.70
Rot. Bonds6

About 3-(4-butan-2-ylphenoxy)-2-methylpropanamide

3-(4-butan-2-ylphenoxy)-2-methylpropanamide (PubChem CID 107669112) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenoxy)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-butan-2-ylphenoxy)-2-methylpropanamide
PubChem CID107669112
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(4-butan-2-ylphenoxy)-2-methylpropanamide
SMILESCCC(C)c1ccc(OCC(C)C(N)=O)cc1
InChIInChI=1S/C14H21NO2/c1-4-10(2)12-5-7-13(8-6-12)17-9-11(3)14(15)16/h5-8,10-11H,4,9H2,1-3H3,(H2,15,16)
InChIKeyOFJRGUNRJBZHFJ-UHFFFAOYSA-N
XLogP2.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-butan-2-ylphenoxy)propanamide
CID 107663516
3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
CID 63364284
2-methyl-3-[4-[1-(methylamino)propyl]phenoxy]propanamide
CID 43311938
2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid
CID 107663499
2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide
CID 43311925
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
(2R)-3-(4-cyanophenoxy)-2-methylpropanamide
CID 70943065
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide
CID 107667956
[3-(4-butan-2-ylphenoxy)-2-hydroxypropyl] prop-2-enoate
CID 23517808
(4-butan-2-ylphenyl) 2-methylpropanoate
CID 155645541

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenoxy)-2-methylpropanamide?
The IUPAC name of 3-(4-butan-2-ylphenoxy)-2-methylpropanamide (CID 107669112) is 3-(4-butan-2-ylphenoxy)-2-methylpropanamide.
What is the SMILES notation for 3-(4-butan-2-ylphenoxy)-2-methylpropanamide?
The canonical SMILES for 3-(4-butan-2-ylphenoxy)-2-methylpropanamide is CCC(C)c1ccc(OCC(C)C(N)=O)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenoxy)-2-methylpropanamide?
The InChIKey is OFJRGUNRJBZHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10(2)12-5-7-13(8-6-12)17-9-11(3)14(15)16/h5-8,10-11H,4,9H2,1-3H3,(H2,15,16).
What are the key properties of 3-(4-butan-2-ylphenoxy)-2-methylpropanamide?
3-(4-butan-2-ylphenoxy)-2-methylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenoxy)-2-methylpropanamide is sourced from PubChem (CID 107669112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).