3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide

C22H21NO5 — CID 55807106

IUPAC3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C22H21NO5/c24-22(9-7-16-6-8-20-21(12-16)28-15-27-20)23-18-4-1-3-17(11-18)13-25-14-19-5-2-10-26-19/h1-6,8,10-12H,7,9,13-15H2,(H,23,24)
InChIKeyJKJFVTGCTJELTD-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.30
Rot. Bonds8

About 3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide (PubChem CID 55807106) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
PubChem CID55807106
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C22H21NO5/c24-22(9-7-16-6-8-20-21(12-16)28-15-27-20)23-18-4-1-3-17(11-18)13-25-14-19-5-2-10-26-19/h1-6,8,10-12H,7,9,13-15H2,(H,23,24)
InChIKeyJKJFVTGCTJELTD-UHFFFAOYSA-N
XLogP4.30
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dichlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 52656585
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609804
3-(1,3-benzodioxol-5-yl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]propanamide
CID 39500255
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742
2-cyclohexyloxy-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 87006772
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
3-(furan-2-yl)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 60630108
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 55661006
N-[3-[2-[3-(furan-2-ylmethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55933693
3-(1,3-benzodioxol-5-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56506794

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide (CID 55807106) is 3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide is O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(COCc2ccco2)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide?
The InChIKey is JKJFVTGCTJELTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c24-22(9-7-16-6-8-20-21(12-16)28-15-27-20)23-18-4-1-3-17(11-18)13-25-14-19-5-2-10-26-19/h1-6,8,10-12H,7,9,13-15H2,(H,23,24).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide has a molecular weight of 379.41 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide is sourced from PubChem (CID 55807106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).