N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide

C14H19NO3 — CID 79192348

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H19NO3/c1-10(16)6-7-14(17)15-9-12-8-11-4-2-3-5-13(11)18-12/h2-5,10,12,16H,6-9H2,1H3,(H,15,17)
InChIKeyOMIJNNUSPGCYBE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.27
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide (PubChem CID 79192348) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
PubChem CID79192348
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H19NO3/c1-10(16)6-7-14(17)15-9-12-8-11-4-2-3-5-13(11)18-12/h2-5,10,12,16H,6-9H2,1H3,(H,15,17)
InChIKeyOMIJNNUSPGCYBE-UHFFFAOYSA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
CID 79012981
3-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 111950369
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-(3-methylbutyl)acetamide
CID 61487190
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51080867
2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
CID 54896354
N-[2-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111928524
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111106984

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide (CID 79192348) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide is CC(O)CCC(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide?
The InChIKey is OMIJNNUSPGCYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(16)6-7-14(17)15-9-12-8-11-4-2-3-5-13(11)18-12/h2-5,10,12,16H,6-9H2,1H3,(H,15,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide has a molecular weight of 249.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide is sourced from PubChem (CID 79192348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).