(2R)-2-[4-(3-oxobutyl)phenoxy]propanamide

C13H17NO3 — CID 28825316

IUPAC(2R)-2-[4-(3-oxobutyl)phenoxy]propanamide
SMILESCC(=O)CCc1ccc(O[C@H](C)C(N)=O)cc1
InChIInChI=1S/C13H17NO3/c1-9(15)3-4-11-5-7-12(8-6-11)17-10(2)13(14)16/h5-8,10H,3-4H2,1-2H3,(H2,14,16)/t10-/m1/s1
InChIKeyDYSPGPNGWNHJBJ-SNVBAGLBSA-N
MW235.28 g/mol
LogP1.46
Rot. Bonds6

About (2R)-2-[4-(3-oxobutyl)phenoxy]propanamide

(2R)-2-[4-(3-oxobutyl)phenoxy]propanamide (PubChem CID 28825316) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2R)-2-[4-(3-oxobutyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(3-oxobutyl)phenoxy]propanamide
PubChem CID28825316
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(2R)-2-[4-(3-oxobutyl)phenoxy]propanamide
SMILESCC(=O)CCc1ccc(O[C@H](C)C(N)=O)cc1
InChIInChI=1S/C13H17NO3/c1-9(15)3-4-11-5-7-12(8-6-11)17-10(2)13(14)16/h5-8,10H,3-4H2,1-2H3,(H2,14,16)/t10-/m1/s1
InChIKeyDYSPGPNGWNHJBJ-SNVBAGLBSA-N
XLogP1.46
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 43085576
2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082830
4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one
CID 78767059
N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 78767064
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
3-[4-(2-hydroxyethyl)phenoxy]butan-2-one
CID 107709225
(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 51906069
N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 42904100
2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503658
(2R)-2-(4-propylphenoxy)propanoyl chloride
CID 86712374

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-oxobutyl)phenoxy]propanamide?
The IUPAC name of (2R)-2-[4-(3-oxobutyl)phenoxy]propanamide (CID 28825316) is (2R)-2-[4-(3-oxobutyl)phenoxy]propanamide.
What is the SMILES notation for (2R)-2-[4-(3-oxobutyl)phenoxy]propanamide?
The canonical SMILES for (2R)-2-[4-(3-oxobutyl)phenoxy]propanamide is CC(=O)CCc1ccc(O[C@H](C)C(N)=O)cc1.
What is the InChIKey of (2R)-2-[4-(3-oxobutyl)phenoxy]propanamide?
The InChIKey is DYSPGPNGWNHJBJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(15)3-4-11-5-7-12(8-6-11)17-10(2)13(14)16/h5-8,10H,3-4H2,1-2H3,(H2,14,16)/t10-/m1/s1.
What are the key properties of (2R)-2-[4-(3-oxobutyl)phenoxy]propanamide?
(2R)-2-[4-(3-oxobutyl)phenoxy]propanamide has a molecular weight of 235.28 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-oxobutyl)phenoxy]propanamide is sourced from PubChem (CID 28825316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).