N-(3-oxobutan-2-yl)furan-3-carboxamide

C9H11NO3 — CID 64997031

IUPACN-(3-oxobutan-2-yl)furan-3-carboxamide
SMILESCC(=O)C(C)NC(=O)c1ccoc1
InChIInChI=1S/C9H11NO3/c1-6(7(2)11)10-9(12)8-3-4-13-5-8/h3-6H,1-2H3,(H,10,12)
InChIKeyDOCQGDAEXGDPAW-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.99
Rot. Bonds3

About N-(3-oxobutan-2-yl)furan-3-carboxamide

N-(3-oxobutan-2-yl)furan-3-carboxamide (PubChem CID 64997031) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(3-oxobutan-2-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(3-oxobutan-2-yl)furan-3-carboxamide
PubChem CID64997031
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameN-(3-oxobutan-2-yl)furan-3-carboxamide
SMILESCC(=O)C(C)NC(=O)c1ccoc1
InChIInChI=1S/C9H11NO3/c1-6(7(2)11)10-9(12)8-3-4-13-5-8/h3-6H,1-2H3,(H,10,12)
InChIKeyDOCQGDAEXGDPAW-UHFFFAOYSA-N
XLogP0.99
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
CID 81003529
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 119199037
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091
(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119363522
3-[2-(furan-3-carbonylamino)propanoyl-methylamino]-2-methylpropanoic acid
CID 119227974
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
N-[(2S)-1-[[(1R)-1-cyano-3-methylbutyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95299394
5-methyl-N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 114820799
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926

Frequently Asked Questions

What is the IUPAC name of N-(3-oxobutan-2-yl)furan-3-carboxamide?
The IUPAC name of N-(3-oxobutan-2-yl)furan-3-carboxamide (CID 64997031) is N-(3-oxobutan-2-yl)furan-3-carboxamide.
What is the SMILES notation for N-(3-oxobutan-2-yl)furan-3-carboxamide?
The canonical SMILES for N-(3-oxobutan-2-yl)furan-3-carboxamide is CC(=O)C(C)NC(=O)c1ccoc1.
What is the InChIKey of N-(3-oxobutan-2-yl)furan-3-carboxamide?
The InChIKey is DOCQGDAEXGDPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(7(2)11)10-9(12)8-3-4-13-5-8/h3-6H,1-2H3,(H,10,12).
What are the key properties of N-(3-oxobutan-2-yl)furan-3-carboxamide?
N-(3-oxobutan-2-yl)furan-3-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutan-2-yl)furan-3-carboxamide is sourced from PubChem (CID 64997031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).