N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide

C24H27N3O4 — CID 46971029

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide
SMILESCOc1nc2ccccc2nc1CCC(=O)NC(c1ccc2c(c1)OCCO2)C(C)C
InChIInChI=1S/C24H27N3O4/c1-15(2)23(16-8-10-20-21(14-16)31-13-12-30-20)27-22(28)11-9-19-24(29-3)26-18-7-5-4-6-17(18)25-19/h4-8,10,14-15,23H,9,11-13H2,1-3H3,(H,27,28)
InChIKeyKERBZERGRYUENS-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.86
Rot. Bonds7

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide (PubChem CID 46971029) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide
PubChem CID46971029
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide
SMILESCOc1nc2ccccc2nc1CCC(=O)NC(c1ccc2c(c1)OCCO2)C(C)C
InChIInChI=1S/C24H27N3O4/c1-15(2)23(16-8-10-20-21(14-16)31-13-12-30-20)27-22(28)11-9-19-24(29-3)26-18-7-5-4-6-17(18)25-19/h4-8,10,14-15,23H,9,11-13H2,1-3H3,(H,27,28)
InChIKeyKERBZERGRYUENS-UHFFFAOYSA-N
XLogP3.86
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]propanamide
CID 42926832
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybutanamide
CID 94232170
4-(1,3-benzothiazol-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]butanamide
CID 55387588
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-phenoxybutanamide
CID 134052781
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(2-methoxyphenoxy)acetamide
CID 7669767
4-(1,3-benzothiazol-2-yl)-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]butanamide
CID 9114504
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(2-methylphenoxy)propanamide
CID 9258039
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 9258691
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 51923721
2-(2-chlorophenoxy)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 9011762
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
CID 26193141
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
CID 26193142

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide (CID 46971029) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide is COc1nc2ccccc2nc1CCC(=O)NC(c1ccc2c(c1)OCCO2)C(C)C.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide?
The InChIKey is KERBZERGRYUENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15(2)23(16-8-10-20-21(14-16)31-13-12-30-20)27-22(28)11-9-19-24(29-3)26-18-7-5-4-6-17(18)25-19/h4-8,10,14-15,23H,9,11-13H2,1-3H3,(H,27,28).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide has a molecular weight of 421.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(3-methoxyquinoxalin-2-yl)propanamide is sourced from PubChem (CID 46971029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).