5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide

C14H22N2O2 — CID 47027051

IUPAC5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)NCC2CCCN2CC)o1
InChIInChI=1S/C14H22N2O2/c1-3-12-7-8-13(18-12)14(17)15-10-11-6-5-9-16(11)4-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,17)
InChIKeyAILHSWNTOHFOGY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.06
Rot. Bonds5

About 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide

5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide (PubChem CID 47027051) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide
PubChem CID47027051
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)NCC2CCCN2CC)o1
InChIInChI=1S/C14H22N2O2/c1-3-12-7-8-13(18-12)14(17)15-10-11-6-5-9-16(11)4-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,17)
InChIKeyAILHSWNTOHFOGY-UHFFFAOYSA-N
XLogP2.06
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide (CID 47027051) is 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide is CCc1ccc(C(=O)NCC2CCCN2CC)o1.
What is the InChIKey of 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide?
The InChIKey is AILHSWNTOHFOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12-7-8-13(18-12)14(17)15-10-11-6-5-9-16(11)4-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,17).
What are the key properties of 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide?
5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 47027051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).