[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate

C14H21N3O5 — CID 8859315

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate
SMILESNC(=O)NCCCCCC(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C14H21N3O5/c15-14(20)16-7-3-1-2-6-13(19)22-10-12(18)17-9-11-5-4-8-21-11/h4-5,8H,1-3,6-7,9-10H2,(H,17,18)(H3,15,16,20)
InChIKeyOUZYUYXWRGDEJZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.67
Rot. Bonds10

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate (PubChem CID 8859315) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate
PubChem CID8859315
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate
SMILESNC(=O)NCCCCCC(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C14H21N3O5/c15-14(20)16-7-3-1-2-6-13(19)22-10-12(18)17-9-11-5-4-8-21-11/h4-5,8H,1-3,6-7,9-10H2,(H,17,18)(H3,15,16,20)
InChIKeyOUZYUYXWRGDEJZ-UHFFFAOYSA-N
XLogP0.67
TPSA123.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate
CID 9067562
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate
CID 35987408
6-(furan-2-ylmethylcarbamoylamino)hexanoic acid
CID 61188617
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2360405
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 40624817
6-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]hexyl dihydrogen phosphate
CID 101203083
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 78763973
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883762
tert-butyl 6-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111465865

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate (CID 8859315) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate is NC(=O)NCCCCCC(=O)OCC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate?
The InChIKey is OUZYUYXWRGDEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c15-14(20)16-7-3-1-2-6-13(19)22-10-12(18)17-9-11-5-4-8-21-11/h4-5,8H,1-3,6-7,9-10H2,(H,17,18)(H3,15,16,20).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate has a molecular weight of 311.34 g/mol, XLogP of 0.67, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate is sourced from PubChem (CID 8859315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).