2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide

C19H29N3O3 — CID 22427177

IUPAC2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCCC(C)C1Nc2ccc(C(=O)NCCCOC(C)C)cc2NC1=O
InChIInChI=1S/C19H29N3O3/c1-5-13(4)17-19(24)22-16-11-14(7-8-15(16)21-17)18(23)20-9-6-10-25-12(2)3/h7-8,11-13,17,21H,5-6,9-10H2,1-4H3,(H,20,23)(H,22,24)
InChIKeyXSELBSTXKKYILO-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.01
Rot. Bonds8

About 2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide

2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 22427177) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID22427177
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCCC(C)C1Nc2ccc(C(=O)NCCCOC(C)C)cc2NC1=O
InChIInChI=1S/C19H29N3O3/c1-5-13(4)17-19(24)22-16-11-14(7-8-15(16)21-17)18(23)20-9-6-10-25-12(2)3/h7-8,11-13,17,21H,5-6,9-10H2,1-4H3,(H,20,23)(H,22,24)
InChIKeyXSELBSTXKKYILO-UHFFFAOYSA-N
XLogP3.01
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(3-propan-2-yloxypropyl)-1,3-dihydroindole-6-carboxamide
CID 102712158
(6aR)-6-oxo-N-(3-propan-2-yloxypropyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 92726267
3-butan-2-yl-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 22427162
N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 73301125
2-morpholin-4-ium-4-yl-3-oxo-N-(3-propan-2-yloxypropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 3464099
(2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 92695881
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 17309759
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of 2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 22427177) is 2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for 2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for 2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide is CCC(C)C1Nc2ccc(C(=O)NCCCOC(C)C)cc2NC1=O.
What is the InChIKey of 2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is XSELBSTXKKYILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-13(4)17-19(24)22-16-11-14(7-8-15(16)21-17)18(23)20-9-6-10-25-12(2)3/h7-8,11-13,17,21H,5-6,9-10H2,1-4H3,(H,20,23)(H,22,24).
What are the key properties of 2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide?
2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-oxo-N-(3-propan-2-yloxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 22427177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).