N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide

C18H24N2O4 — CID 111496772

IUPACN-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)C(C)N(C)CCC(C)O
InChIInChI=1S/C18H24N2O4/c1-11(21)9-10-20(4)12(2)18(23)19-16-14-7-5-6-8-15(14)24-17(16)13(3)22/h5-8,11-12,21H,9-10H2,1-4H3,(H,19,23)
InChIKeyLLCARABDGMYCAF-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.67
Rot. Bonds7

About N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide

N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide (PubChem CID 111496772) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide
PubChem CID111496772
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)C(C)N(C)CCC(C)O
InChIInChI=1S/C18H24N2O4/c1-11(21)9-10-20(4)12(2)18(23)19-16-14-7-5-6-8-15(14)24-17(16)13(3)22/h5-8,11-12,21H,9-10H2,1-4H3,(H,19,23)
InChIKeyLLCARABDGMYCAF-UHFFFAOYSA-N
XLogP2.67
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetyl-1-benzofuran-3-yl)-2-[(4-bromothiophen-2-yl)methyl-methylamino]propanamide
CID 55841599
N-(2-acetyl-1-benzofuran-3-yl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 55840025
N-(2-acetyl-1-benzofuran-3-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111334114
N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899313
N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 40952834
[(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 30505335
2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide
CID 111496932
N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide
CID 86817850
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide
CID 20926182
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
3-[(2-cyano-3-oxobutanoyl)amino]-1-benzofuran-2-carboxylic acid
CID 91337367

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide?
The IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide (CID 111496772) is N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide is CC(=O)c1oc2ccccc2c1NC(=O)C(C)N(C)CCC(C)O.
What is the InChIKey of N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide?
The InChIKey is LLCARABDGMYCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11(21)9-10-20(4)12(2)18(23)19-16-14-7-5-6-8-15(14)24-17(16)13(3)22/h5-8,11-12,21H,9-10H2,1-4H3,(H,19,23).
What are the key properties of N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide?
N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide has a molecular weight of 332.40 g/mol, XLogP of 2.67, 7 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-[3-hydroxybutyl(methyl)amino]propanamide is sourced from PubChem (CID 111496772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).