(2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide

C18H20N2O3 — CID 95040643

IUPAC(2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(=O)c1cccc(O[C@@H](C)C(=O)N(C)Cc2ccccn2)c1
InChIInChI=1S/C18H20N2O3/c1-13(21)15-7-6-9-17(11-15)23-14(2)18(22)20(3)12-16-8-4-5-10-19-16/h4-11,14H,12H2,1-3H3/t14-/m0/s1
InChIKeyXDRWSGZLUBVTIO-AWEZNQCLSA-N
MW312.37 g/mol
LogP2.71
Rot. Bonds6

About (2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide

(2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 95040643) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID95040643
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(=O)c1cccc(O[C@@H](C)C(=O)N(C)Cc2ccccn2)c1
InChIInChI=1S/C18H20N2O3/c1-13(21)15-7-6-9-17(11-15)23-14(2)18(22)20(3)12-16-8-4-5-10-19-16/h4-11,14H,12H2,1-3H3/t14-/m0/s1
InChIKeyXDRWSGZLUBVTIO-AWEZNQCLSA-N
XLogP2.71
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide
CID 95040633
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
2-(3-acetylphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 134017563
1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone
CID 82037403
3-methyl-2-[methyl(pyridin-2-ylmethyl)carbamoyl]butanoic acid
CID 115186252
2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide
CID 75509167
2-(3-acetylphenoxy)-N-(1-aminopropan-2-yl)-N-methylpropanamide;hydrochloride
CID 119581712
2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 40628702
N-(4-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 55889470
(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 31528376
2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 43565135
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide (CID 95040643) is (2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide is CC(=O)c1cccc(O[C@@H](C)C(=O)N(C)Cc2ccccn2)c1.
What is the InChIKey of (2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is XDRWSGZLUBVTIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(21)15-7-6-9-17(11-15)23-14(2)18(22)20(3)12-16-8-4-5-10-19-16/h4-11,14H,12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide?
(2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 312.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 95040643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).