N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide

C17H21NO2 — CID 95756517

IUPACN-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCC3CCC3)c(C)c2c1
InChIInChI=1S/C17H21NO2/c1-3-12-7-8-15-14(9-12)11(2)16(20-15)17(19)18-10-13-5-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyIWSQNFBUKIPHGQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.83
Rot. Bonds4

About N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide

N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 95756517) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
PubChem CID95756517
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCC3CCC3)c(C)c2c1
InChIInChI=1S/C17H21NO2/c1-3-12-7-8-15-14(9-12)11(2)16(20-15)17(19)18-10-13-5-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyIWSQNFBUKIPHGQ-UHFFFAOYSA-N
XLogP3.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide (CID 95756517) is N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)NCC3CCC3)c(C)c2c1.
What is the InChIKey of N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IWSQNFBUKIPHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-12-7-8-15-14(9-12)11(2)16(20-15)17(19)18-10-13-5-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,18,19).
What are the key properties of N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95756517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).