N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide

C21H24N2O3 — CID 72904865

IUPACN-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide
SMILESCC(=O)N1C[C@H](NC(=O)c2ccc(-c3ccc(C)o3)cc2)[C@@H](C2CC2)C1
InChIInChI=1S/C21H24N2O3/c1-13-3-10-20(26-13)16-6-8-17(9-7-16)21(25)22-19-12-23(14(2)24)11-18(19)15-4-5-15/h3,6-10,15,18-19H,4-5,11-12H2,1-2H3,(H,22,25)/t18-,19+/m1/s1
InChIKeyGIMNHNSJBYTHJQ-MOPGFXCFSA-N
MW352.43 g/mol
LogP3.24
Rot. Bonds4

About N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide

N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide (PubChem CID 72904865) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide
PubChem CID72904865
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide
SMILESCC(=O)N1C[C@H](NC(=O)c2ccc(-c3ccc(C)o3)cc2)[C@@H](C2CC2)C1
InChIInChI=1S/C21H24N2O3/c1-13-3-10-20(26-13)16-6-8-17(9-7-16)21(25)22-19-12-23(14(2)24)11-18(19)15-4-5-15/h3,6-10,15,18-19H,4-5,11-12H2,1-2H3,(H,22,25)/t18-,19+/m1/s1
InChIKeyGIMNHNSJBYTHJQ-MOPGFXCFSA-N
XLogP3.24
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 72863523
1-[4-(5-methylfuran-2-yl)phenyl]ethanone
CID 5167325
4-(5-methylfuran-2-yl)-N-(4-methylphenyl)benzamide
CID 7463717
N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 133120307
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
4-methoxy-N-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl)benzamide
CID 23620928
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18180447
N-[(4aR,8R,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-4-chlorobenzamide
CID 90679027
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(5-methylfuran-2-yl)oxybenzamide
CID 22573289
N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride
CID 154897880
N-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)benzamide
CID 71690177
[(3aR,5R,6R,7aS)-5-hydroxy-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[4-(5-methylfuran-2-yl)phenyl]methanone
CID 172673874

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide?
The IUPAC name of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide (CID 72904865) is N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide.
What is the SMILES notation for N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide?
The canonical SMILES for N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide is CC(=O)N1C[C@H](NC(=O)c2ccc(-c3ccc(C)o3)cc2)[C@@H](C2CC2)C1.
What is the InChIKey of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide?
The InChIKey is GIMNHNSJBYTHJQ-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-3-10-20(26-13)16-6-8-17(9-7-16)21(25)22-19-12-23(14(2)24)11-18(19)15-4-5-15/h3,6-10,15,18-19H,4-5,11-12H2,1-2H3,(H,22,25)/t18-,19+/m1/s1.
What are the key properties of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide?
N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-4-(5-methylfuran-2-yl)benzamide is sourced from PubChem (CID 72904865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).