3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride

C16H23ClN2O2 — CID 119434168

IUPAC3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1oc2c(C)ccc(C)c2c1C.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-10-6-7-11(2)14-13(10)12(3)15(20-14)16(19)18-9-5-8-17-4;/h6-7,17H,5,8-9H2,1-4H3,(H,18,19);1H
InChIKeyWDUNYNATWZMFOJ-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.12
Rot. Bonds5

About 3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride

3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119434168) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119434168
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1oc2c(C)ccc(C)c2c1C.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-10-6-7-11(2)14-13(10)12(3)15(20-14)16(19)18-9-5-8-17-4;/h6-7,17H,5,8-9H2,1-4H3,(H,18,19);1H
InChIKeyWDUNYNATWZMFOJ-UHFFFAOYSA-N
XLogP3.12
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride (CID 119434168) is 3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride is CNCCCNC(=O)c1oc2c(C)ccc(C)c2c1C.Cl.
What is the InChIKey of 3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is WDUNYNATWZMFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-10-6-7-11(2)14-13(10)12(3)15(20-14)16(19)18-9-5-8-17-4;/h6-7,17H,5,8-9H2,1-4H3,(H,18,19);1H.
What are the key properties of 3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride?
3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119434168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).