[2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium

C17H24N3O4+ — CID 8841411

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
SMILESCC(C)(C)NC(=O)NC(=O)C[NH+](Cc1ccco1)Cc1ccco1
InChIInChI=1S/C17H23N3O4/c1-17(2,3)19-16(22)18-15(21)12-20(10-13-6-4-8-23-13)11-14-7-5-9-24-14/h4-9H,10-12H2,1-3H3,(H2,18,19,21,22)/p+1
InChIKeyXWURJMGSXUYYAE-UHFFFAOYSA-O
MW334.40 g/mol
LogP1.08
Rot. Bonds6

About [2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium

[2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium (PubChem CID 8841411) has the molecular formula C17H24N3O4+ and a molecular weight of 334.40 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
PubChem CID8841411
Molecular FormulaC17H24N3O4+
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
SMILESCC(C)(C)NC(=O)NC(=O)C[NH+](Cc1ccco1)Cc1ccco1
InChIInChI=1S/C17H23N3O4/c1-17(2,3)19-16(22)18-15(21)12-20(10-13-6-4-8-23-13)11-14-7-5-9-24-14/h4-9H,10-12H2,1-3H3,(H2,18,19,21,22)/p+1
InChIKeyXWURJMGSXUYYAE-UHFFFAOYSA-O
XLogP1.08
TPSA88.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8678178
[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841127
[2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841313
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
bis(furan-2-ylmethyl)-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]azanium
CID 8840703
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841698
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841120
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3490448
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907562
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8842192
2-[benzyl(furan-2-ylmethyl)azaniumyl]acetate
CID 39348590
[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677565

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium (CID 8841411) is [2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium is CC(C)(C)NC(=O)NC(=O)C[NH+](Cc1ccco1)Cc1ccco1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The InChIKey is XWURJMGSXUYYAE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N3O4/c1-17(2,3)19-16(22)18-15(21)12-20(10-13-6-4-8-23-13)11-14-7-5-9-24-14/h4-9H,10-12H2,1-3H3,(H2,18,19,21,22)/p+1.
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium has a molecular weight of 334.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium is sourced from PubChem (CID 8841411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).