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

C18H21ClN2O2 — CID 119430724

IUPAC3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1oc2c(ccc3ccccc32)c1C.Cl
InChIInChI=1S/C18H20N2O2.ClH/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);1H
InChIKeyADPPIDGPGDZKJD-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.66
Rot. Bonds5

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

3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride (PubChem CID 119430724) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
PubChem CID119430724
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1oc2c(ccc3ccccc32)c1C.Cl
InChIInChI=1S/C18H20N2O2.ClH/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);1H
InChIKeyADPPIDGPGDZKJD-UHFFFAOYSA-N
XLogP3.66
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.66
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
CID 119430725
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
3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119504301
3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119434168
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
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;hydrochloride?
The IUPAC name of 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride (CID 119430724) is 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride is CNCCCNC(=O)c1oc2c(ccc3ccccc32)c1C.Cl.
What is the InChIKey of 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride?
The InChIKey is ADPPIDGPGDZKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/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);1H.
What are the key properties of 3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride?
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 3.66, 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;hydrochloride is sourced from PubChem (CID 119430724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).