N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide

C15H20N2O2 — CID 105060018

IUPACN-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(NC1CCCNCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H20N2O2/c18-15(17-14-2-1-6-16-7-5-14)11-3-4-12-9-19-10-13(12)8-11/h3-4,8,14,16H,1-2,5-7,9-10H2,(H,17,18)
InChIKeyUNOQEKLJORSLPN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.59
Rot. Bonds2

About N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 105060018) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID105060018
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(NC1CCCNCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H20N2O2/c18-15(17-14-2-1-6-16-7-5-14)11-3-4-12-9-19-10-13(12)8-11/h3-4,8,14,16H,1-2,5-7,9-10H2,(H,17,18)
InChIKeyUNOQEKLJORSLPN-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylpiperidin-3-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55231266
N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489063
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
N-[1-(2-aminoethyl)piperidin-4-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732271
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886
N-(azepan-4-yl)-3-methoxy-4-nitrobenzamide
CID 105061010
2-oxo-N-piperidin-3-yl-1,3-dihydroindole-5-carboxamide
CID 102711516
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 105060018) is N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide is O=C(NC1CCCNCC1)c1ccc2c(c1)COC2.
What is the InChIKey of N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is UNOQEKLJORSLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(17-14-2-1-6-16-7-5-14)11-3-4-12-9-19-10-13(12)8-11/h3-4,8,14,16H,1-2,5-7,9-10H2,(H,17,18).
What are the key properties of N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 105060018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).