N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide

C16H17NO3 — CID 2738408

IUPACN-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
SMILESCC1(C)Cc2cccc(C(=O)NCc3ccco3)c2O1
InChIInChI=1S/C16H17NO3/c1-16(2)9-11-5-3-7-13(14(11)20-16)15(18)17-10-12-6-4-8-19-12/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyRJOALAAJAFNSIT-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.92
Rot. Bonds3

About N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide

N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide (PubChem CID 2738408) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
PubChem CID2738408
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
SMILESCC1(C)Cc2cccc(C(=O)NCc3ccco3)c2O1
InChIInChI=1S/C16H17NO3/c1-16(2)9-11-5-3-7-13(14(11)20-16)15(18)17-10-12-6-4-8-19-12/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyRJOALAAJAFNSIT-UHFFFAOYSA-N
XLogP2.92
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide (CID 2738408) is N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide is CC1(C)Cc2cccc(C(=O)NCc3ccco3)c2O1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
The InChIKey is RJOALAAJAFNSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-16(2)9-11-5-3-7-13(14(11)20-16)15(18)17-10-12-6-4-8-19-12/h3-8H,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide?
N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,2-dimethyl-3H-1-benzofuran-7-carboxamide is sourced from PubChem (CID 2738408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).