5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride

C13H23ClN2O2 — CID 2906094

IUPAC5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCNC(=O)c1ccc(CN(C(C)C)C(C)C)o1.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-9(2)15(10(3)4)8-11-6-7-12(17-11)13(16)14-5;/h6-7,9-10H,8H2,1-5H3,(H,14,16);1H
InChIKeyYEZBRVNWQVXTSK-UHFFFAOYSA-N
MW274.79 g/mol
LogP2.68
Rot. Bonds5

About 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride

5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride (PubChem CID 2906094) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride
PubChem CID2906094
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC Name5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCNC(=O)c1ccc(CN(C(C)C)C(C)C)o1.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-9(2)15(10(3)4)8-11-6-7-12(17-11)13(16)14-5;/h6-7,9-10H,8H2,1-5H3,(H,14,16);1H
InChIKeyYEZBRVNWQVXTSK-UHFFFAOYSA-N
XLogP2.68
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride (CID 2906094) is 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride is CNC(=O)c1ccc(CN(C(C)C)C(C)C)o1.Cl.
What is the InChIKey of 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is YEZBRVNWQVXTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c1-9(2)15(10(3)4)8-11-6-7-12(17-11)13(16)14-5;/h6-7,9-10H,8H2,1-5H3,(H,14,16);1H.
What are the key properties of 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride?
5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 2906094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).