N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide

C11H15NO3 — CID 22925124

IUPACN,N-diethyl-3-(furan-3-yl)-3-oxopropanamide
SMILESCCN(CC)C(=O)CC(=O)c1ccoc1
InChIInChI=1S/C11H15NO3/c1-3-12(4-2)11(14)7-10(13)9-5-6-15-8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyUCOGEDQMRBJNQW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.72
Rot. Bonds5

About N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide

N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide (PubChem CID 22925124) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(furan-3-yl)-3-oxopropanamide
PubChem CID22925124
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC NameN,N-diethyl-3-(furan-3-yl)-3-oxopropanamide
SMILESCCN(CC)C(=O)CC(=O)c1ccoc1
InChIInChI=1S/C11H15NO3/c1-3-12(4-2)11(14)7-10(13)9-5-6-15-8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyUCOGEDQMRBJNQW-UHFFFAOYSA-N
XLogP1.72
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(Furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one (8)
CID 127053815
3-(8-Aza-5-azoniaspiro[4.5]decan-8-yl)-1-(furan-3-yl)propan-1-one bromide
CID 44285485
3-(Furan-3-yl)-3-oxopropanamide
CID 21590275
N,N-diethyl-2-(3-methylfuran-2-yl)acetamide
CID 86101850
2-(3-Methylfuran-2-yl)-1-pyrrolidin-1-ylethanone
CID 86101852
2-(3-Methylfuran-2-yl)-1-piperidin-1-ylethanone
CID 86101854
N,N-diethyl-2-prop-2-enylfuran-3-carboxamide
CID 176433787
3-(8-Aza-5-azoniaspiro[4.5]decan-8-yl)-1-(furan-3-yl)propan-1-one
CID 44285486
2-cyano-N-cyclopropyl-3-(furan-3-yl)-3-oxo-N-(2,2,2-trifluoroethyl)propanamide
CID 56788771
(2R)-2-cyano-N-cyclopropyl-3-(furan-3-yl)-3-oxo-N-(2,2,2-trifluoroethyl)propanamide
CID 98169107
(2S)-2-cyano-N-cyclopropyl-3-(furan-3-yl)-3-oxo-N-(2,2,2-trifluoroethyl)propanamide
CID 98169108
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-3-yl)ethanone
CID 167764248

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide?
The IUPAC name of N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide (CID 22925124) is N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide.
What is the SMILES notation for N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide?
The canonical SMILES for N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide is CCN(CC)C(=O)CC(=O)c1ccoc1.
What is the InChIKey of N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide?
The InChIKey is UCOGEDQMRBJNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-12(4-2)11(14)7-10(13)9-5-6-15-8-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide?
N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide has a molecular weight of 209.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(furan-3-yl)-3-oxopropanamide is sourced from PubChem (CID 22925124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).