N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide

C14H20N2O3 — CID 66211531

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide
SMILESNC1C2CCCOC2C1NC(=O)CCc1ccco1
InChIInChI=1S/C14H20N2O3/c15-12-10-4-2-8-19-14(10)13(12)16-11(17)6-5-9-3-1-7-18-9/h1,3,7,10,12-14H,2,4-6,8,15H2,(H,16,17)
InChIKeyWIQAVTCGVKXVSP-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.83
Rot. Bonds4

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide (PubChem CID 66211531) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide
PubChem CID66211531
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide
SMILESNC1C2CCCOC2C1NC(=O)CCc1ccco1
InChIInChI=1S/C14H20N2O3/c15-12-10-4-2-8-19-14(10)13(12)16-11(17)6-5-9-3-1-7-18-9/h1,3,7,10,12-14H,2,4-6,8,15H2,(H,16,17)
InChIKeyWIQAVTCGVKXVSP-UHFFFAOYSA-N
XLogP0.83
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-thiophen-2-ylacetamide
CID 66210558
N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide
CID 93452004
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064
N-(3-aminocyclobutyl)-3-(furan-2-yl)propanamide
CID 43594940
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclopentylacetamide
CID 66211728
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide
CID 103165028
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide
CID 66213092
phenyl N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)carbamate
CID 66212704
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
CID 66211147
methyl (1S,2S,3S,4S)-3-[3-(furan-2-yl)propanoylamino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98176748
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-(2-chlorophenyl)acetamide
CID 66195362
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide
CID 82987244

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide (CID 66211531) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide is NC1C2CCCOC2C1NC(=O)CCc1ccco1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide?
The InChIKey is WIQAVTCGVKXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-10-4-2-8-19-14(10)13(12)16-11(17)6-5-9-3-1-7-18-9/h1,3,7,10,12-14H,2,4-6,8,15H2,(H,16,17).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide has a molecular weight of 264.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 66211531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).