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

C15H16N2O4 — CID 8918206

IUPACN-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccco1
InChIInChI=1S/C15H16N2O4/c1-10(12-3-2-6-19-12)16-8-15(18)17-11-4-5-13-14(7-11)21-9-20-13/h2-7,10,16H,8-9H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyRNSOUKKBKCHPPW-JTQLQIEISA-N
MW288.30 g/mol
LogP2.30
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide (PubChem CID 8918206) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
PubChem CID8918206
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccco1
InChIInChI=1S/C15H16N2O4/c1-10(12-3-2-6-19-12)16-8-15(18)17-11-4-5-13-14(7-11)21-9-20-13/h2-7,10,16H,8-9H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyRNSOUKKBKCHPPW-JTQLQIEISA-N
XLogP2.30
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917883
N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917918
N-(3-fluoro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919228
N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376473
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584
N-(1,3-benzodioxol-5-yl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide
CID 18137507
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631468
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755316
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18085953
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide (CID 8918206) is N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide is C[C@H](NCC(=O)Nc1ccc2c(c1)OCO2)c1ccco1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide?
The InChIKey is RNSOUKKBKCHPPW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(12-3-2-6-19-12)16-8-15(18)17-11-4-5-13-14(7-11)21-9-20-13/h2-7,10,16H,8-9H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide has a molecular weight of 288.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 8918206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).