N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide

C16H19NO2 — CID 26394079

IUPACN-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NC3CCC3)oc2c1C
InChIInChI=1S/C16H19NO2/c1-9-7-8-13-11(3)15(19-14(13)10(9)2)16(18)17-12-5-4-6-12/h7-8,12H,4-6H2,1-3H3,(H,17,18)
InChIKeyLDNQLZBNWSKTPG-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.64
Rot. Bonds2

About N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide

N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 26394079) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID26394079
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NC3CCC3)oc2c1C
InChIInChI=1S/C16H19NO2/c1-9-7-8-13-11(3)15(19-14(13)10(9)2)16(18)17-12-5-4-6-12/h7-8,12H,4-6H2,1-3H3,(H,17,18)
InChIKeyLDNQLZBNWSKTPG-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 86834650
7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 23723269
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 27023364
cis-(1S,3R)-3-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675163
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone
CID 45195094
3,6,7-trimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 46264593
5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 3947407
3,6,7-trimethyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35346075
3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 24790141
7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide
CID 104927239

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide (CID 26394079) is N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)NC3CCC3)oc2c1C.
What is the InChIKey of N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is LDNQLZBNWSKTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-9-7-8-13-11(3)15(19-14(13)10(9)2)16(18)17-12-5-4-6-12/h7-8,12H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26394079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).