N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide

C16H19NO2 — CID 16648842

IUPACN-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1
InChIInChI=1S/C16H19NO2/c1-10-7-8-14-13(9-10)11(2)15(19-14)16(18)17-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,17,18)
InChIKeyQMBMJMZRZHHKFE-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.72
Rot. Bonds2

About N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide

N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 16648842) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
PubChem CID16648842
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1
InChIInChI=1S/C16H19NO2/c1-10-7-8-14-13(9-10)11(2)15(19-14)16(18)17-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,17,18)
InChIKeyQMBMJMZRZHHKFE-UHFFFAOYSA-N
XLogP3.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 110279135
5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 3947407
N-(4-aminocyclohexyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119475221
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472
3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 42107595
N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967860
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
1-cyclopentyl-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9090114
5-bromo-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 44841757
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 26394079

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide (CID 16648842) is N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1.
What is the InChIKey of N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is QMBMJMZRZHHKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-7-8-14-13(9-10)11(2)15(19-14)16(18)17-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide?
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16648842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).