N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide

C13H11NO4 — CID 110690742

IUPACN-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
SMILESO=C(Cc1ccco1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H11NO4/c15-13(7-10-2-1-5-16-10)14-9-3-4-11-12(6-9)18-8-17-11/h1-6H,7-8H2,(H,14,15)
InChIKeyILOAJGKUNLGFPK-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.19
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide (PubChem CID 110690742) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
PubChem CID110690742
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
SMILESO=C(Cc1ccco1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H11NO4/c15-13(7-10-2-1-5-16-10)14-9-3-4-11-12(6-9)18-8-17-11/h1-6H,7-8H2,(H,14,15)
InChIKeyILOAJGKUNLGFPK-UHFFFAOYSA-N
XLogP2.19
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907
2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide
CID 108996348
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
4-(1,3-benzodioxol-5-ylamino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 6914905
N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138579
N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918206
N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide
CID 113098813
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)acetamide
CID 110690712
2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide
CID 859487
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide
CID 3154022
N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112981821
N-(1,3-benzodioxol-5-yl)-3-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 55481979

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide (CID 110690742) is N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide is O=C(Cc1ccco1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide?
The InChIKey is ILOAJGKUNLGFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-13(7-10-2-1-5-16-10)14-9-3-4-11-12(6-9)18-8-17-11/h1-6H,7-8H2,(H,14,15).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide has a molecular weight of 245.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide is sourced from PubChem (CID 110690742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).