2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C18H24N2O3 — CID 18872336

IUPAC2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1ccc2occ(CC(=O)NCCCN3CCOCC3)c2c1
InChIInChI=1S/C18H24N2O3/c1-14-3-4-17-16(11-14)15(13-23-17)12-18(21)19-5-2-6-20-7-9-22-10-8-20/h3-4,11,13H,2,5-10,12H2,1H3,(H,19,21)
InChIKeyWVRIESFXWAIUTO-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.12
Rot. Bonds6

About 2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 18872336) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID18872336
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1ccc2occ(CC(=O)NCCCN3CCOCC3)c2c1
InChIInChI=1S/C18H24N2O3/c1-14-3-4-17-16(11-14)15(13-23-17)12-18(21)19-5-2-6-20-7-9-22-10-8-20/h3-4,11,13H,2,5-10,12H2,1H3,(H,19,21)
InChIKeyWVRIESFXWAIUTO-UHFFFAOYSA-N
XLogP2.12
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18871958
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 86933184
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 53081250
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 108792020
2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 5146954
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 2987188
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429617
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 18872336) is 2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1ccc2occ(CC(=O)NCCCN3CCOCC3)c2c1.
What is the InChIKey of 2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is WVRIESFXWAIUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14-3-4-17-16(11-14)15(13-23-17)12-18(21)19-5-2-6-20-7-9-22-10-8-20/h3-4,11,13H,2,5-10,12H2,1H3,(H,19,21).
What are the key properties of 2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 18872336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).