(2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide

C14H18N2O4 — CID 95040633

IUPAC(2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide
SMILESCC(=O)c1cccc(O[C@@H](C)C(=O)N(C)CC(N)=O)c1
InChIInChI=1S/C14H18N2O4/c1-9(17)11-5-4-6-12(7-11)20-10(2)14(19)16(3)8-13(15)18/h4-7,10H,8H2,1-3H3,(H2,15,18)/t10-/m0/s1
InChIKeyBHTQGSOFKZZVDG-JTQLQIEISA-N
MW278.31 g/mol
LogP0.60
Rot. Bonds6

About (2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide

(2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide (PubChem CID 95040633) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide
PubChem CID95040633
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide
SMILESCC(=O)c1cccc(O[C@@H](C)C(=O)N(C)CC(N)=O)c1
InChIInChI=1S/C14H18N2O4/c1-9(17)11-5-4-6-12(7-11)20-10(2)14(19)16(3)8-13(15)18/h4-7,10H,8H2,1-3H3,(H2,15,18)/t10-/m0/s1
InChIKeyBHTQGSOFKZZVDG-JTQLQIEISA-N
XLogP0.60
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride
CID 119581712
(2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 95040643
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
(2R)-N-(2-amino-2-oxoethyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide
CID 94207958
2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid
CID 119172411
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
(2R)-N-(2-amino-2-oxoethyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
CID 94207951
2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60626516
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
(3-acetylphenyl) (2S)-2-aminopropanoate
CID 121364925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide?
The IUPAC name of (2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide (CID 95040633) is (2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide is CC(=O)c1cccc(O[C@@H](C)C(=O)N(C)CC(N)=O)c1.
What is the InChIKey of (2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide?
The InChIKey is BHTQGSOFKZZVDG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(17)11-5-4-6-12(7-11)20-10(2)14(19)16(3)8-13(15)18/h4-7,10H,8H2,1-3H3,(H2,15,18)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide?
(2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide has a molecular weight of 278.31 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide is sourced from PubChem (CID 95040633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).