2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide

C16H23NO3 — CID 43115628

IUPAC2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccccc1C(C)=O
InChIInChI=1S/C16H23NO3/c1-5-8-11(2)17-16(19)13(4)20-15-10-7-6-9-14(15)12(3)18/h6-7,9-11,13H,5,8H2,1-4H3,(H,17,19)
InChIKeyYJQSYQSHAVCJRU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.96
Rot. Bonds7

About 2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide

2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide (PubChem CID 43115628) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
PubChem CID43115628
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccccc1C(C)=O
InChIInChI=1S/C16H23NO3/c1-5-8-11(2)17-16(19)13(4)20-15-10-7-6-9-14(15)12(3)18/h6-7,9-11,13H,5,8H2,1-4H3,(H,17,19)
InChIKeyYJQSYQSHAVCJRU-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
2-methyl-3-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 82810097
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43277213
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
propyl 2-(2-acetylphenoxy)propanoate
CID 82312026
3-(2-acetylphenoxy)butan-2-one
CID 82312052
4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 107014203
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
(2R)-2-[2-(2-fluorophenoxy)propanoylamino]pentanoic acid
CID 107563253

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide (CID 43115628) is 2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1ccccc1C(C)=O.
What is the InChIKey of 2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide?
The InChIKey is YJQSYQSHAVCJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-8-11(2)17-16(19)13(4)20-15-10-7-6-9-14(15)12(3)18/h6-7,9-11,13H,5,8H2,1-4H3,(H,17,19).
What are the key properties of 2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide?
2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide has a molecular weight of 277.36 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43115628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).