3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide

C19H21NO2 — CID 7926460

IUPAC3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCC(C)C)oc2c1ccc1ccccc12
InChIInChI=1S/C19H21NO2/c1-12(2)10-11-20-19(21)17-13(3)15-9-8-14-6-4-5-7-16(14)18(15)22-17/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKeyBQIWOXSFTSIRRZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.67
Rot. Bonds4

About 3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide

3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide (PubChem CID 7926460) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
PubChem CID7926460
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCC(C)C)oc2c1ccc1ccccc12
InChIInChI=1S/C19H21NO2/c1-12(2)10-11-20-19(21)17-13(3)15-9-8-14-6-4-5-7-16(14)18(15)22-17/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKeyBQIWOXSFTSIRRZ-UHFFFAOYSA-N
XLogP4.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
CID 119430724
6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
CID 119352194
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
3-methyl-2-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]butanoic acid
CID 119348344
N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 27644530
N-(furan-2-ylmethyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7732316
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 86834650
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 25404880
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7733139

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide (CID 7926460) is 3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)NCCC(C)C)oc2c1ccc1ccccc12.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is BQIWOXSFTSIRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-12(2)10-11-20-19(21)17-13(3)15-9-8-14-6-4-5-7-16(14)18(15)22-17/h4-9,12H,10-11H2,1-3H3,(H,20,21).
What are the key properties of 3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 4.67, 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)benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 7926460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).