4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide

C25H25N3O5 — CID 17498842

IUPAC4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(C)C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1
InChIInChI=1S/C25H25N3O5/c1-16(24(29)28-20-9-12-22-23(15-20)33-14-13-32-22)26-18-5-3-17(4-6-18)25(30)27-19-7-10-21(31-2)11-8-19/h3-12,15-16,26H,13-14H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyIVYXJFLKUATKPT-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.16
Rot. Bonds7

About 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide

4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 17498842) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID17498842
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(C)C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1
InChIInChI=1S/C25H25N3O5/c1-16(24(29)28-20-9-12-22-23(15-20)33-14-13-32-22)26-18-5-3-17(4-6-18)25(30)27-19-7-10-21(31-2)11-8-19/h3-12,15-16,26H,13-14H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyIVYXJFLKUATKPT-UHFFFAOYSA-N
XLogP4.16
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyanilino)propanamide
CID 17436766
2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42917950
4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide
CID 41190635
N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-4-[(4-methoxyphenyl)diazenyl]benzamide
CID 102336284
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 94206602
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2162099
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245363
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043993

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide (CID 17498842) is 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NC(C)C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1.
What is the InChIKey of 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is IVYXJFLKUATKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-16(24(29)28-20-9-12-22-23(15-20)33-14-13-32-22)26-18-5-3-17(4-6-18)25(30)27-19-7-10-21(31-2)11-8-19/h3-12,15-16,26H,13-14H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide?
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 447.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 17498842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).