3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide

C19H23N3O2 — CID 71991550

IUPAC3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(CNC(=O)c2oc3ccccc3c2CN(C)C)n1C
InChIInChI=1S/C19H23N3O2/c1-13-9-10-14(22(13)4)11-20-19(23)18-16(12-21(2)3)15-7-5-6-8-17(15)24-18/h5-10H,11-12H2,1-4H3,(H,20,23)
InChIKeyHGYROHKEPQOFGQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.07
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide

3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 71991550) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID71991550
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(CNC(=O)c2oc3ccccc3c2CN(C)C)n1C
InChIInChI=1S/C19H23N3O2/c1-13-9-10-14(22(13)4)11-20-19(23)18-16(12-21(2)3)15-7-5-6-8-17(15)24-18/h5-10H,11-12H2,1-4H3,(H,20,23)
InChIKeyHGYROHKEPQOFGQ-UHFFFAOYSA-N
XLogP3.07
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 95932852
3-[(dimethylamino)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide;dihydrochloride
CID 120948162
3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 111484704
3-[(dimethylamino)methyl]-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 71990827
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 11749858
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide;methane
CID 159274996
3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 166250211
3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
CID 71990798
3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride
CID 119462752
3-[(dimethylamino)methyl]-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 139005777
3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide
CID 119427274

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 71991550) is 3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1ccc(CNC(=O)c2oc3ccccc3c2CN(C)C)n1C.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is HGYROHKEPQOFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-9-10-14(22(13)4)11-20-19(23)18-16(12-21(2)3)15-7-5-6-8-17(15)24-18/h5-10H,11-12H2,1-4H3,(H,20,23).
What are the key properties of 3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide?
3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71991550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).