3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride

C14H19ClN2O2 — CID 119504301

IUPAC3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1oc2c(C)cccc2c1C.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-9-5-4-6-11-10(2)13(18-12(9)11)14(17)16-8-7-15-3;/h4-6,15H,7-8H2,1-3H3,(H,16,17);1H
InChIKeyVNKBFVIODLWHMT-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.42
Rot. Bonds4

About 3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride

3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119504301) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119504301
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1oc2c(C)cccc2c1C.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-9-5-4-6-11-10(2)13(18-12(9)11)14(17)16-8-7-15-3;/h4-6,15H,7-8H2,1-3H3,(H,16,17);1H
InChIKeyVNKBFVIODLWHMT-UHFFFAOYSA-N
XLogP2.42
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-dimethyl-N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 47366244
3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide
CID 55996601
2-[2-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242689
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
CID 119430724
3,7-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119538086
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 111480979
3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119434168
N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide
CID 60564685
3,7-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1-benzofuran-2-carboxamide
CID 86779911
N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119405924
N-[[4-(dimethoxymethyl)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 122132125

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride (CID 119504301) is 3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride is CNCCNC(=O)c1oc2c(C)cccc2c1C.Cl.
What is the InChIKey of 3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is VNKBFVIODLWHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-9-5-4-6-11-10(2)13(18-12(9)11)14(17)16-8-7-15-3;/h4-6,15H,7-8H2,1-3H3,(H,16,17);1H.
What are the key properties of 3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride?
3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119504301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).