N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide

C17H20N2O4 — CID 111334114

IUPACN-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)C(C)N1CC[C@@H](O)C1
InChIInChI=1S/C17H20N2O4/c1-10(19-8-7-12(21)9-19)17(22)18-15-13-5-3-4-6-14(13)23-16(15)11(2)20/h3-6,10,12,21H,7-9H2,1-2H3,(H,18,22)/t10?,12-/m1/s1
InChIKeyJMKJNTAYDCQBOV-TVKKRMFBSA-N
MW316.36 g/mol
LogP2.03
Rot. Bonds4

About N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide

N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide (PubChem CID 111334114) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
PubChem CID111334114
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)C(C)N1CC[C@@H](O)C1
InChIInChI=1S/C17H20N2O4/c1-10(19-8-7-12(21)9-19)17(22)18-15-13-5-3-4-6-14(13)23-16(15)11(2)20/h3-6,10,12,21H,7-9H2,1-2H3,(H,18,22)/t10?,12-/m1/s1
InChIKeyJMKJNTAYDCQBOV-TVKKRMFBSA-N
XLogP2.03
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899313
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]propanamide
CID 20926300
[(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 30505335
N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111496772
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
N-(2,6-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 110884119
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-acetyl-1-benzofuran-3-yl)acetamide
CID 11939628
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide (CID 111334114) is N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide is CC(=O)c1oc2ccccc2c1NC(=O)C(C)N1CC[C@@H](O)C1.
What is the InChIKey of N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide?
The InChIKey is JMKJNTAYDCQBOV-TVKKRMFBSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10(19-8-7-12(21)9-19)17(22)18-15-13-5-3-4-6-14(13)23-16(15)11(2)20/h3-6,10,12,21H,7-9H2,1-2H3,(H,18,22)/t10?,12-/m1/s1.
What are the key properties of N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide?
N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide has a molecular weight of 316.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide is sourced from PubChem (CID 111334114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).