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

C19H25N3O3 — CID 72932473

IUPACN-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCN(CC1CCOCC1)C(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C19H25N3O3/c1-2-22(13-14-9-11-25-12-10-14)18(23)8-7-17-19(24)21-16-6-4-3-5-15(16)20-17/h3-6,14H,2,7-13H2,1H3,(H,21,24)
InChIKeyJNJSGRMCWCAZIY-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.13
Rot. Bonds6

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

N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 72932473) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID72932473
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCN(CC1CCOCC1)C(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C19H25N3O3/c1-2-22(13-14-9-11-25-12-10-14)18(23)8-7-17-19(24)21-16-6-4-3-5-15(16)20-17/h3-6,14H,2,7-13H2,1H3,(H,21,24)
InChIKeyJNJSGRMCWCAZIY-UHFFFAOYSA-N
XLogP2.13
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110752226
N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide
CID 82177043
N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110757297
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide
CID 46984852
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110663583
N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide
CID 50975562
3-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72929082
3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
CID 72896419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 72932473) is N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CCN(CC1CCOCC1)C(=O)CCc1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is JNJSGRMCWCAZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-22(13-14-9-11-25-12-10-14)18(23)8-7-17-19(24)21-16-6-4-3-5-15(16)20-17/h3-6,14H,2,7-13H2,1H3,(H,21,24).
What are the key properties of N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 72932473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).