N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide

C14H19NO3 — CID 79210222

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H19NO3/c16-8-4-3-7-14(17)15-10-12-9-11-5-1-2-6-13(11)18-12/h1-2,5-6,12,16H,3-4,7-10H2,(H,15,17)
InChIKeyYUYPMZFWCOESON-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.27
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide (PubChem CID 79210222) 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)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
PubChem CID79210222
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H19NO3/c16-8-4-3-7-14(17)15-10-12-9-11-5-1-2-6-13(11)18-12/h1-2,5-6,12,16H,3-4,7-10H2,(H,15,17)
InChIKeyYUYPMZFWCOESON-UHFFFAOYSA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(prop-2-enylamino)acetamide
CID 79279793
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51080867
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 39236349
2-(1-aminocyclopentyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
CID 64676743
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924277
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide (CID 79210222) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide is O=C(CCCCO)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide?
The InChIKey is YUYPMZFWCOESON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-8-4-3-7-14(17)15-10-12-9-11-5-1-2-6-13(11)18-12/h1-2,5-6,12,16H,3-4,7-10H2,(H,15,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide has a molecular weight of 249.31 g/mol, XLogP of 1.27, 6 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)-5-hydroxypentanamide is sourced from PubChem (CID 79210222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).