[2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate

C16H16N2O8 — CID 7814068

IUPAC[2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NCCNC(=O)COC(=O)c1ccco1
InChIInChI=1S/C16H16N2O8/c19-13(9-25-15(21)11-3-1-7-23-11)17-5-6-18-14(20)10-26-16(22)12-4-2-8-24-12/h1-4,7-8H,5-6,9-10H2,(H,17,19)(H,18,20)
InChIKeyDWKYWRVLLMCLOR-UHFFFAOYSA-N
MW364.31 g/mol
LogP0.12
Rot. Bonds9

About [2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate

[2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 7814068) has the molecular formula C16H16N2O8 and a molecular weight of 364.31 g/mol. Its IUPAC name is [2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate
PubChem CID7814068
Molecular FormulaC16H16N2O8
Molecular Weight364.31 g/mol
Exact Mass364.09
IUPAC Name[2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NCCNC(=O)COC(=O)c1ccco1
InChIInChI=1S/C16H16N2O8/c19-13(9-25-15(21)11-3-1-7-23-11)17-5-6-18-14(20)10-26-16(22)12-4-2-8-24-12/h1-4,7-8H,5-6,9-10H2,(H,17,19)(H,18,20)
InChIKeyDWKYWRVLLMCLOR-UHFFFAOYSA-N
XLogP0.12
TPSA137.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(propylamino)ethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2477385
Furan-2-carboxylic acid 1-cyclopentylcarbamoyl-ethyl ester
CID 3220201
Furan-2-carboxylic acid 1-cyclopentylcarbamoyl-2-methyl-propyl ester
CID 3220206
Furan-2-carboxylic acid 1-cyclopentylcarbamoyl-propyl ester
CID 3220216
Furan-2-carboxylic acid 1-cyclohexylcarbamoyl-2-methyl-propyl ester
CID 654589
Furan-2-carboxylic acid 1-[(furan-2-ylmethyl)-carbamoyl]-propyl ester
CID 656068
(2-Oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate
CID 2351711
[2-oxo-2-(propylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2421408
[2-oxo-2-(propan-2-ylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2425269
[2-(Cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate
CID 7486753
Furan-2-carboxylic acid cyclopentylcarbamoylmethyl ester
CID 1470227
[2-(methylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2120786

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate (CID 7814068) is [2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)NCCNC(=O)COC(=O)c1ccco1.
What is the InChIKey of [2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is DWKYWRVLLMCLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O8/c19-13(9-25-15(21)11-3-1-7-23-11)17-5-6-18-14(20)10-26-16(22)12-4-2-8-24-12/h1-4,7-8H,5-6,9-10H2,(H,17,19)(H,18,20).
What are the key properties of [2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate?
[2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 364.31 g/mol, XLogP of 0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[[2-(furan-2-carbonyloxy)acetyl]amino]ethylamino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 7814068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).