(2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide

C15H19N3O2 — CID 126452957

IUPAC(2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide
SMILESCCO[C@@H](C)C(=O)N(C)Cc1cnc2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-4-20-11(2)15(19)18(3)10-12-9-16-13-7-5-6-8-14(13)17-12/h5-9,11H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyGATLBJUTNPHDKJ-NSHDSACASA-N
MW273.34 g/mol
LogP2.01
Rot. Bonds5

About (2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide

(2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide (PubChem CID 126452957) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide
PubChem CID126452957
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide
SMILESCCO[C@@H](C)C(=O)N(C)Cc1cnc2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-4-20-11(2)15(19)18(3)10-12-9-16-13-7-5-6-8-14(13)17-12/h5-9,11H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyGATLBJUTNPHDKJ-NSHDSACASA-N
XLogP2.01
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide (CID 126452957) is (2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide is CCO[C@@H](C)C(=O)N(C)Cc1cnc2ccccc2n1.
What is the InChIKey of (2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide?
The InChIKey is GATLBJUTNPHDKJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-11(2)15(19)18(3)10-12-9-16-13-7-5-6-8-14(13)17-12/h5-9,11H,4,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide?
(2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-methyl-N-(quinoxalin-2-ylmethyl)propanamide is sourced from PubChem (CID 126452957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).