[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate

C19H18N2O8 — CID 3523899

IUPAC[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate
SMILESCC(NC(=O)c1ccco1)C(=O)OCC(=O)NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C19H18N2O8/c1-11(20-17(23)14-7-4-8-26-14)19(25)28-10-16(22)21-18(24)15-9-27-12-5-2-3-6-13(12)29-15/h2-8,11,15H,9-10H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyJHEUBKKFDYIHAX-UHFFFAOYSA-N
MW402.36 g/mol
LogP0.42
Rot. Bonds6

About [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate

[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate (PubChem CID 3523899) has the molecular formula C19H18N2O8 and a molecular weight of 402.36 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate
PubChem CID3523899
Molecular FormulaC19H18N2O8
Molecular Weight402.36 g/mol
Exact Mass402.11
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate
SMILESCC(NC(=O)c1ccco1)C(=O)OCC(=O)NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C19H18N2O8/c1-11(20-17(23)14-7-4-8-26-14)19(25)28-10-16(22)21-18(24)15-9-27-12-5-2-3-6-13(12)29-15/h2-8,11,15H,9-10H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyJHEUBKKFDYIHAX-UHFFFAOYSA-N
XLogP0.42
TPSA133.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate with MolForge

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Related Compounds

N-[1-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55332219
N-[(1S)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]furan-2-carboxamide
CID 878326
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55925612
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7992338
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2436876
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8847052
[2-(carbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 4830645
N-(4-aminobutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 62092392
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 51485714
(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95354893
[2-(ethoxycarbonylamino)-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7861691
[2-[2-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 8753844

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate (CID 3523899) is [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate is CC(NC(=O)c1ccco1)C(=O)OCC(=O)NC(=O)C1COc2ccccc2O1.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate?
The InChIKey is JHEUBKKFDYIHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O8/c1-11(20-17(23)14-7-4-8-26-14)19(25)28-10-16(22)21-18(24)15-9-27-12-5-2-3-6-13(12)29-15/h2-8,11,15H,9-10H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate?
[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate has a molecular weight of 402.36 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 3523899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).