N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide

C19H18N2O5 — CID 8840907

IUPACN-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O5/c22-19(20-14-5-6-17-18(9-14)26-13-25-17)12-21(10-15-3-1-7-23-15)11-16-4-2-8-24-16/h1-9H,10-13H2,(H,20,22)
InChIKeyQPUPEQFCQSWQCJ-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.24
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide (PubChem CID 8840907) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
PubChem CID8840907
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O5/c22-19(20-14-5-6-17-18(9-14)26-13-25-17)12-21(10-15-3-1-7-23-15)11-16-4-2-8-24-16/h1-9H,10-13H2,(H,20,22)
InChIKeyQPUPEQFCQSWQCJ-UHFFFAOYSA-N
XLogP3.24
TPSA77.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742
N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138579
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371333
4-(1,3-benzodioxol-5-ylamino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 6914905
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24568125
2-[bis(furan-2-ylmethyl)amino]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24568129
2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide
CID 108996348
2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 112781040
2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 27119061
N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918206

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide (CID 8840907) is N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide is O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide?
The InChIKey is QPUPEQFCQSWQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-19(20-14-5-6-17-18(9-14)26-13-25-17)12-21(10-15-3-1-7-23-15)11-16-4-2-8-24-16/h1-9H,10-13H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide has a molecular weight of 354.36 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8840907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).