N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide

C17H21NO4 — CID 131702310

IUPACN-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(OCCO)CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H21NO4/c19-9-10-21-17(7-3-4-8-17)12-18-16(20)15-11-13-5-1-2-6-14(13)22-15/h1-2,5-6,11,19H,3-4,7-10,12H2,(H,18,20)
InChIKeyXRICOWUJJJXCJL-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.48
Rot. Bonds6

About N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide

N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 131702310) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID131702310
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(OCCO)CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H21NO4/c19-9-10-21-17(7-3-4-8-17)12-18-16(20)15-11-13-5-1-2-6-14(13)22-15/h1-2,5-6,11,19H,3-4,7-10,12H2,(H,18,20)
InChIKeyXRICOWUJJJXCJL-UHFFFAOYSA-N
XLogP2.48
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758782
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758419
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 114760777
N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 131702306
4-fluoro-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]benzamide
CID 131702305
N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-4-methylthiophene-2-carboxamide
CID 131703955
N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-benzofuran-2-carboxamide
CID 71977522
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114755595
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 136534123
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide (CID 131702310) is N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide is O=C(NCC1(OCCO)CCCC1)c1cc2ccccc2o1.
What is the InChIKey of N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is XRICOWUJJJXCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-9-10-21-17(7-3-4-8-17)12-18-16(20)15-11-13-5-1-2-6-14(13)22-15/h1-2,5-6,11,19H,3-4,7-10,12H2,(H,18,20).
What are the key properties of N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide?
N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 131702310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).