N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide

C25H20N2O5 — CID 16818279

IUPACN-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
SMILESO=C(CCc1ccccc1)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12
InChIInChI=1S/C25H20N2O5/c28-22(13-10-16-6-2-1-3-7-16)27-23-18-8-4-5-9-19(18)32-24(23)25(29)26-17-11-12-20-21(14-17)31-15-30-20/h1-9,11-12,14H,10,13,15H2,(H,26,29)(H,27,28)
InChIKeyJOVVUQNYYQOCEB-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.99
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide

N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide (PubChem CID 16818279) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
PubChem CID16818279
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
SMILESO=C(CCc1ccccc1)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12
InChIInChI=1S/C25H20N2O5/c28-22(13-10-16-6-2-1-3-7-16)27-23-18-8-4-5-9-19(18)32-24(23)25(29)26-17-11-12-20-21(14-17)31-15-30-20/h1-9,11-12,14H,10,13,15H2,(H,26,29)(H,27,28)
InChIKeyJOVVUQNYYQOCEB-UHFFFAOYSA-N
XLogP4.99
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7205124
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617
methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate
CID 52943074
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-phenylpropanamide
CID 113050236
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
CID 16814944
3-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 28713210
3-(3-chloropropanoylamino)-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7501910
N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703196
3-[[(Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 16814881
N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide
CID 2226482

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide (CID 16818279) is N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide is O=C(CCc1ccccc1)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide?
The InChIKey is JOVVUQNYYQOCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c28-22(13-10-16-6-2-1-3-7-16)27-23-18-8-4-5-9-19(18)32-24(23)25(29)26-17-11-12-20-21(14-17)31-15-30-20/h1-9,11-12,14H,10,13,15H2,(H,26,29)(H,27,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16818279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).