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

C16H21NO3 — CID 111426308

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21NO3/c18-14(11-3-1-2-4-11)10-17-16(19)13-5-6-15-12(9-13)7-8-20-15/h5-6,9,11,14,18H,1-4,7-8,10H2,(H,17,19)
InChIKeyWCPQATRRJILZFA-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.90
Rot. Bonds4

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

N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 111426308) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID111426308
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21NO3/c18-14(11-3-1-2-4-11)10-17-16(19)13-5-6-15-12(9-13)7-8-20-15/h5-6,9,11,14,18H,1-4,7-8,10H2,(H,17,19)
InChIKeyWCPQATRRJILZFA-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166416
N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106737365
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103879254
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
N-(3-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114302534
N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62667060
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-[3-(cyclopropylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62201269
N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106286086
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113275372
N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106124041
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 111426308) is N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NCC(O)C1CCCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is WCPQATRRJILZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-14(11-3-1-2-4-11)10-17-16(19)13-5-6-15-12(9-13)7-8-20-15/h5-6,9,11,14,18H,1-4,7-8,10H2,(H,17,19).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 111426308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).