4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide

C25H22N2O5 — CID 56559845

IUPAC4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide
SMILESCOc1cc2c(cc1NC(=O)CCC(=O)N1CCOc3ccccc31)oc1ccccc12
InChIInChI=1S/C25H22N2O5/c1-30-23-14-17-16-6-2-4-8-20(16)32-22(17)15-18(23)26-24(28)10-11-25(29)27-12-13-31-21-9-5-3-7-19(21)27/h2-9,14-15H,10-13H2,1H3,(H,26,28)
InChIKeyPIVIJMMIOUTMSJ-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.74
Rot. Bonds5

About 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide

4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide (PubChem CID 56559845) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide
PubChem CID56559845
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide
SMILESCOc1cc2c(cc1NC(=O)CCC(=O)N1CCOc3ccccc31)oc1ccccc12
InChIInChI=1S/C25H22N2O5/c1-30-23-14-17-16-6-2-4-8-20(16)32-22(17)15-18(23)26-24(28)10-11-25(29)27-12-13-31-21-9-5-3-7-19(21)27/h2-9,14-15H,10-13H2,1H3,(H,26,28)
InChIKeyPIVIJMMIOUTMSJ-UHFFFAOYSA-N
XLogP4.74
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanoyl]amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 56563553
3-[[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanoyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 56562974
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3873495
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 56564447
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2579993
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethoxyphenyl)propan-1-one
CID 32612143
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide
CID 2219830
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56567411
2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 5144773
6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)hexanamide
CID 2219851
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 22513114

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide (CID 56559845) is 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide is COc1cc2c(cc1NC(=O)CCC(=O)N1CCOc3ccccc31)oc1ccccc12.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide?
The InChIKey is PIVIJMMIOUTMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-30-23-14-17-16-6-2-4-8-20(16)32-22(17)15-18(23)26-24(28)10-11-25(29)27-12-13-31-21-9-5-3-7-19(21)27/h2-9,14-15H,10-13H2,1H3,(H,26,28).
What are the key properties of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide?
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide has a molecular weight of 430.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxydibenzofuran-3-yl)-4-oxobutanamide is sourced from PubChem (CID 56559845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).