N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide

C16H16N2O5 — CID 17463093

IUPACN-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H16N2O5/c19-15(9-18-16(20)13-2-1-7-21-13)17-6-5-11-3-4-12-14(8-11)23-10-22-12/h1-4,7-8H,5-6,9-10H2,(H,17,19)(H,18,20)
InChIKeyCHNYCBXFCGGSEH-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.10
Rot. Bonds6

About N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 17463093) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID17463093
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H16N2O5/c19-15(9-18-16(20)13-2-1-7-21-13)17-6-5-11-3-4-12-14(8-11)23-10-22-12/h1-4,7-8H,5-6,9-10H2,(H,17,19)(H,18,20)
InChIKeyCHNYCBXFCGGSEH-UHFFFAOYSA-N
XLogP1.10
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-4-chlorobenzamide
CID 18159580
N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 18117931
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167361
N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide
CID 110866090
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 6461351
2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 110767389
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-nitrophenyl)acetamide
CID 86060341
2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110767409
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-bromo-1,3-benzodioxol-5-yl)acetamide
CID 10835152

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide (CID 17463093) is N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NCCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is CHNYCBXFCGGSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c19-15(9-18-16(20)13-2-1-7-21-13)17-6-5-11-3-4-12-14(8-11)23-10-22-12/h1-4,7-8H,5-6,9-10H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 17463093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).