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

C13H22N2O2 — CID 745031

IUPAC5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C(C)C)C(C)C)o1
InChIInChI=1S/C13H22N2O2/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)
InChIKeyYAQQEJJWIDUENS-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.26
Rot. Bonds5

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

5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide (PubChem CID 745031) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide
PubChem CID745031
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C(C)C)C(C)C)o1
InChIInChI=1S/C13H22N2O2/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)
InChIKeyYAQQEJJWIDUENS-UHFFFAOYSA-N
XLogP2.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.26
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?
The IUPAC name of 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide (CID 745031) is 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(CN(C(C)C)C(C)C)o1.
What is the InChIKey of 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is YAQQEJJWIDUENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/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).
What are the key properties of 5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide?
5-[[di(propan-2-yl)amino]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 2.26, 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 is sourced from PubChem (CID 745031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).