3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide

C16H25NO2 — CID 107669047

IUPAC3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide
SMILESCCC(C)c1ccc(OCCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-13(4)14-6-8-15(9-7-14)19-11-10-16(18)17-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,17,18)
InChIKeySICWEHPXXBYMKK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.49
Rot. Bonds7

About 3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide

3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide (PubChem CID 107669047) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide
PubChem CID107669047
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide
SMILESCCC(C)c1ccc(OCCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-13(4)14-6-8-15(9-7-14)19-11-10-16(18)17-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,17,18)
InChIKeySICWEHPXXBYMKK-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535255
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
methyl 3-[2-[2-(4-butan-2-ylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 43886949
N-(1-aminopropan-2-yl)-3-(4-propan-2-ylphenoxy)propanamide
CID 110834337
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
(2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide
CID 94812564
N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930612
3-(4-bromo-3-methylphenoxy)-N-propan-2-ylpropanamide
CID 83133367
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide
CID 117097751

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide (CID 107669047) is 3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide is CCC(C)c1ccc(OCCC(=O)NC(C)C)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is SICWEHPXXBYMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-13(4)14-6-8-15(9-7-14)19-11-10-16(18)17-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of 3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide?
3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 3.49, 7 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)-N-propan-2-ylpropanamide is sourced from PubChem (CID 107669047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).