N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide

C14H19NO3 — CID 113259378

IUPACN-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCC(O)CCNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H19NO3/c1-2-13(16)5-6-15-14(17)10-3-4-11-8-18-9-12(11)7-10/h3-4,7,13,16H,2,5-6,8-9H2,1H3,(H,15,17)
InChIKeyOLGVEGNIAQOEAM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.61
Rot. Bonds5

About N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 113259378) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID113259378
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCC(O)CCNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H19NO3/c1-2-13(16)5-6-15-14(17)10-3-4-11-8-18-9-12(11)7-10/h3-4,7,13,16H,2,5-6,8-9H2,1H3,(H,15,17)
InChIKeyOLGVEGNIAQOEAM-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
N-(2-chloroethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744532
N-(3-hydroxypentyl)naphthalene-2-carboxamide
CID 115703584
N-(4-bromobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106846002
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103843199
methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103958226
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
CID 115703395
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 81484647

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 113259378) is N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide is CCC(O)CCNC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is OLGVEGNIAQOEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-13(16)5-6-15-14(17)10-3-4-11-8-18-9-12(11)7-10/h3-4,7,13,16H,2,5-6,8-9H2,1H3,(H,15,17).
What are the key properties of N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 113259378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).