5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide

C16H20N2O2 — CID 61102723

IUPAC5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCCC3CCCC3)cc2c1
InChIInChI=1S/C16H20N2O2/c17-13-5-6-14-12(9-13)10-15(20-14)16(19)18-8-7-11-3-1-2-4-11/h5-6,9-11H,1-4,7-8,17H2,(H,18,19)
InChIKeyXEJMFRSUVIRPPW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.33
Rot. Bonds4

About 5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide

5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide (PubChem CID 61102723) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
PubChem CID61102723
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCCC3CCCC3)cc2c1
InChIInChI=1S/C16H20N2O2/c17-13-5-6-14-12(9-13)10-15(20-14)16(19)18-8-7-11-3-1-2-4-11/h5-6,9-11H,1-4,7-8,17H2,(H,18,19)
InChIKeyXEJMFRSUVIRPPW-UHFFFAOYSA-N
XLogP3.33
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 61127124
5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 80596349
5-amino-N-(2-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 61102153
tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate
CID 104932643
5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 81042497
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 62056992
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119533543
5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide
CID 61095225
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
3,5-diamino-N-(2-cyclohexylethyl)benzamide
CID 61103497

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide (CID 61102723) is 5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide is Nc1ccc2oc(C(=O)NCCC3CCCC3)cc2c1.
What is the InChIKey of 5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is XEJMFRSUVIRPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-13-5-6-14-12(9-13)10-15(20-14)16(19)18-8-7-11-3-1-2-4-11/h5-6,9-11H,1-4,7-8,17H2,(H,18,19).
What are the key properties of 5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide?
5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61102723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).