3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide

C15H19NO2 — CID 51172700

IUPAC3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCC(C)C)oc2ccccc12
InChIInChI=1S/C15H19NO2/c1-10(2)8-9-16-15(17)14-11(3)12-6-4-5-7-13(12)18-14/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyCQTPQZPNLXLZFA-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.52
Rot. Bonds4

About 3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide

3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 51172700) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
PubChem CID51172700
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCC(C)C)oc2ccccc12
InChIInChI=1S/C15H19NO2/c1-10(2)8-9-16-15(17)14-11(3)12-6-4-5-7-13(12)18-14/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyCQTPQZPNLXLZFA-UHFFFAOYSA-N
XLogP3.52
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108793579
methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 103958225
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methyl-1-benzofuran-2-carboxamide
CID 109381086
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 110902400
2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 106108095
N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119621397
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81064139

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide (CID 51172700) is 3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCC(C)C)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide?
The InChIKey is CQTPQZPNLXLZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(2)8-9-16-15(17)14-11(3)12-6-4-5-7-13(12)18-14/h4-7,10H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51172700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).