N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

C17H19NO2 — CID 2194475

IUPACN-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCc1ccccc1)CCCC2
InChIInChI=1S/C17H19NO2/c1-12-16(14-9-5-6-10-15(14)20-12)17(19)18-11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,18,19)
InChIKeyBWMMMBOENFXDFH-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.40
Rot. Bonds3

About N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (PubChem CID 2194475) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
PubChem CID2194475
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCc1ccccc1)CCCC2
InChIInChI=1S/C17H19NO2/c1-12-16(14-9-5-6-10-15(14)20-12)17(19)18-11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,18,19)
InChIKeyBWMMMBOENFXDFH-UHFFFAOYSA-N
XLogP3.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (CID 2194475) is N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)NCc1ccccc1)CCCC2.
What is the InChIKey of N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The InChIKey is BWMMMBOENFXDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-16(14-9-5-6-10-15(14)20-12)17(19)18-11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,18,19).
What are the key properties of N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 2194475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).