2-butyl-N-methyl-1-benzofuran-3-carboxamide

C14H17NO2 — CID 141114520

IUPAC2-butyl-N-methyl-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NC
InChIInChI=1S/C14H17NO2/c1-3-4-8-12-13(14(16)15-2)10-7-5-6-9-11(10)17-12/h5-7,9H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyIRWQDDFFWPHGOK-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.13
Rot. Bonds4

About 2-butyl-N-methyl-1-benzofuran-3-carboxamide

2-butyl-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 141114520) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-butyl-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-methyl-1-benzofuran-3-carboxamide
PubChem CID141114520
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-butyl-N-methyl-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NC
InChIInChI=1S/C14H17NO2/c1-3-4-8-12-13(14(16)15-2)10-7-5-6-9-11(10)17-12/h5-7,9H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyIRWQDDFFWPHGOK-UHFFFAOYSA-N
XLogP3.13
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
methyl 2-hexyl-1-benzofuran-3-carboxylate
CID 102288995
2-butyl-N-[(1-ethylazetidin-2-yl)methyl]-1-benzofuran-3-carboxamide
CID 167891012
N-(1-azabicyclo[3.2.1]octan-4-yl)-2-butyl-1-benzofuran-3-carboxamide
CID 167959391
2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide
CID 167967580
2-butyl-N-(2-methyl-4-pyrrolidin-1-ylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 166366311
N-[(5-bromo-6-hydroxynaphthalen-2-yl)methyl]-2-butyl-1-benzofuran-3-carboxamide
CID 86587378
methyl 2-[4-[4-[(2-butyl-1-benzofuran-3-carbonyl)amino]phenyl]phenoxy]acetate
CID 131727450
2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide
CID 167908945
2-butyl-3-methylchromen-4-one
CID 174299593
2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 166366369
methyl 2-[(2-butyl-1-benzofuran-3-yl)methylamino]acetate
CID 43494618

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-methyl-1-benzofuran-3-carboxamide (CID 141114520) is 2-butyl-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-methyl-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)NC.
What is the InChIKey of 2-butyl-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is IRWQDDFFWPHGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-4-8-12-13(14(16)15-2)10-7-5-6-9-11(10)17-12/h5-7,9H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of 2-butyl-N-methyl-1-benzofuran-3-carboxamide?
2-butyl-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 141114520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).