N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide

C23H24N2O4 — CID 8755922

IUPACN-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESC[C@H](NC(=O)CN[C@@H](c1ccccc1)c1ccco1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H24N2O4/c1-16(18-9-10-19-21(14-18)29-13-12-28-19)25-22(26)15-24-23(20-8-5-11-27-20)17-6-3-2-4-7-17/h2-11,14,16,23-24H,12-13,15H2,1H3,(H,25,26)/t16-,23-/m0/s1
InChIKeyQJOYFEZQKCPRBB-HJPURHCSSA-N
MW392.46 g/mol
LogP3.61
Rot. Bonds7

About N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide

N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide (PubChem CID 8755922) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
PubChem CID8755922
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESC[C@H](NC(=O)CN[C@@H](c1ccccc1)c1ccco1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H24N2O4/c1-16(18-9-10-19-21(14-18)29-13-12-28-19)25-22(26)15-24-23(20-8-5-11-27-20)17-6-3-2-4-7-17/h2-11,14,16,23-24H,12-13,15H2,1H3,(H,25,26)/t16-,23-/m0/s1
InChIKeyQJOYFEZQKCPRBB-HJPURHCSSA-N
XLogP3.61
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8755940
[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755923
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8756240
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755824
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755962
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 8755034
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(1R)-2-methyl-1-phenylpropyl]urea
CID 41439579
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51606566
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 51177669
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8868036
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8755412

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The IUPAC name of N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide (CID 8755922) is N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The canonical SMILES for N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide is C[C@H](NC(=O)CN[C@@H](c1ccccc1)c1ccco1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The InChIKey is QJOYFEZQKCPRBB-HJPURHCSSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16(18-9-10-19-21(14-18)29-13-12-28-19)25-22(26)15-24-23(20-8-5-11-27-20)17-6-3-2-4-7-17/h2-11,14,16,23-24H,12-13,15H2,1H3,(H,25,26)/t16-,23-/m0/s1.
What are the key properties of N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide has a molecular weight of 392.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide is sourced from PubChem (CID 8755922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).