N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C18H23N3O3 — CID 110752226

IUPACN-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCN(CC1CCOCC1)C(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-21(12-13-8-10-24-11-9-13)17(22)7-6-16-18(23)20-15-5-3-2-4-14(15)19-16/h2-5,13H,6-12H2,1H3,(H,20,23)
InChIKeyWDGOYYAWFWNQTL-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.74
Rot. Bonds5

About N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 110752226) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID110752226
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCN(CC1CCOCC1)C(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-21(12-13-8-10-24-11-9-13)17(22)7-6-16-18(23)20-15-5-3-2-4-14(15)19-16/h2-5,13H,6-12H2,1H3,(H,20,23)
InChIKeyWDGOYYAWFWNQTL-UHFFFAOYSA-N
XLogP1.74
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72932473
N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide
CID 82177043
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110663583
N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63707249
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164657
N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 110752415
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110757297
3-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72929082

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 110752226) is N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CN(CC1CCOCC1)C(=O)CCc1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is WDGOYYAWFWNQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-21(12-13-8-10-24-11-9-13)17(22)7-6-16-18(23)20-15-5-3-2-4-14(15)19-16/h2-5,13H,6-12H2,1H3,(H,20,23).
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 110752226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).