3-(furan-2-yl)-N-(2-oxopropyl)propanamide

C10H13NO3 — CID 64996773

IUPAC3-(furan-2-yl)-N-(2-oxopropyl)propanamide
SMILESCC(=O)CNC(=O)CCc1ccco1
InChIInChI=1S/C10H13NO3/c1-8(12)7-11-10(13)5-4-9-3-2-6-14-9/h2-3,6H,4-5,7H2,1H3,(H,11,13)
InChIKeySHUWIQNKZHMCPX-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.92
Rot. Bonds5

About 3-(furan-2-yl)-N-(2-oxopropyl)propanamide

3-(furan-2-yl)-N-(2-oxopropyl)propanamide (PubChem CID 64996773) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-oxopropyl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-oxopropyl)propanamide
PubChem CID64996773
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-(furan-2-yl)-N-(2-oxopropyl)propanamide
SMILESCC(=O)CNC(=O)CCc1ccco1
InChIInChI=1S/C10H13NO3/c1-8(12)7-11-10(13)5-4-9-3-2-6-14-9/h2-3,6H,4-5,7H2,1H3,(H,11,13)
InChIKeySHUWIQNKZHMCPX-UHFFFAOYSA-N
XLogP0.92
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
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6-(furan-2-yl)hexane-2,4-dione
CID 155288881
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
N-(2-ethylbutyl)-3-(furan-2-yl)propanamide
CID 115612823
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide
CID 25135773
3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide
CID 81430503
3-(furan-2-yl)-N-(6-iodohexyl)propanamide
CID 107848207
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(furan-2-yl)propanamide
CID 103762487

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-oxopropyl)propanamide?
The IUPAC name of 3-(furan-2-yl)-N-(2-oxopropyl)propanamide (CID 64996773) is 3-(furan-2-yl)-N-(2-oxopropyl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-oxopropyl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2-oxopropyl)propanamide is CC(=O)CNC(=O)CCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-(2-oxopropyl)propanamide?
The InChIKey is SHUWIQNKZHMCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8(12)7-11-10(13)5-4-9-3-2-6-14-9/h2-3,6H,4-5,7H2,1H3,(H,11,13).
What are the key properties of 3-(furan-2-yl)-N-(2-oxopropyl)propanamide?
3-(furan-2-yl)-N-(2-oxopropyl)propanamide has a molecular weight of 195.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-oxopropyl)propanamide is sourced from PubChem (CID 64996773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).