N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide

C17H23N3O2 — CID 134127836

IUPACN-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCC1NNC(C)C1C(C)N(C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H23N3O2/c1-10-16(11(2)19-18-10)12(3)20(4)17(21)15-9-13-7-5-6-8-14(13)22-15/h5-12,16,18-19H,1-4H3
InChIKeyKVDZAOCLHXXVSN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.39
Rot. Bonds3

About N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide

N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 134127836) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide
PubChem CID134127836
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCC1NNC(C)C1C(C)N(C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H23N3O2/c1-10-16(11(2)19-18-10)12(3)20(4)17(21)15-9-13-7-5-6-8-14(13)22-15/h5-12,16,18-19H,1-4H3
InChIKeyKVDZAOCLHXXVSN-UHFFFAOYSA-N
XLogP2.39
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide (CID 134127836) is N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide is CC1NNC(C)C1C(C)N(C)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KVDZAOCLHXXVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-10-16(11(2)19-18-10)12(3)20(4)17(21)15-9-13-7-5-6-8-14(13)22-15/h5-12,16,18-19H,1-4H3.
What are the key properties of N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide?
N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 134127836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).