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

C18H20N2O2 — CID 119430725

IUPAC3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCNCCCNC(=O)c1oc2c(ccc3ccccc32)c1C
InChIInChI=1S/C18H20N2O2/c1-12-14-9-8-13-6-3-4-7-15(13)17(14)22-16(12)18(21)20-11-5-10-19-2/h3-4,6-9,19H,5,10-11H2,1-2H3,(H,20,21)
InChIKeyWSMMPNYDULOZPU-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.23
Rot. Bonds5

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

3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide (PubChem CID 119430725) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
PubChem CID119430725
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCNCCCNC(=O)c1oc2c(ccc3ccccc32)c1C
InChIInChI=1S/C18H20N2O2/c1-12-14-9-8-13-6-3-4-7-15(13)17(14)22-16(12)18(21)20-11-5-10-19-2/h3-4,6-9,19H,5,10-11H2,1-2H3,(H,20,21)
InChIKeyWSMMPNYDULOZPU-UHFFFAOYSA-N
XLogP3.23
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
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
3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119504301
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
3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119434168
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
CID 86825646
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide (CID 119430725) is 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide is CNCCCNC(=O)c1oc2c(ccc3ccccc32)c1C.
What is the InChIKey of 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is WSMMPNYDULOZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-14-9-8-13-6-3-4-7-15(13)17(14)22-16(12)18(21)20-11-5-10-19-2/h3-4,6-9,19H,5,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 119430725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).