N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide

C14H22N2O2 — CID 102779269

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
SMILESCc1cc(C(C)NC(=O)C2NCCC2C)c(C)o1
InChIInChI=1S/C14H22N2O2/c1-8-5-6-15-13(8)14(17)16-10(3)12-7-9(2)18-11(12)4/h7-8,10,13,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyWEAPEYJLKRXMPN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.07
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779269) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102779269
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
SMILESCc1cc(C(C)NC(=O)C2NCCC2C)c(C)o1
InChIInChI=1S/C14H22N2O2/c1-8-5-6-15-13(8)14(17)16-10(3)12-7-9(2)18-11(12)4/h7-8,10,13,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyWEAPEYJLKRXMPN-UHFFFAOYSA-N
XLogP2.07
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423858
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopropane-1-carboxamide
CID 114995788
N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777686
N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778029
3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 102779169
N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014343
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60597945
3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66030647
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107068435
N-butan-2-yl-3-methylpyrrolidine-2-carboxamide
CID 102776775
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 56820991

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide (CID 102779269) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide is Cc1cc(C(C)NC(=O)C2NCCC2C)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is WEAPEYJLKRXMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-8-5-6-15-13(8)14(17)16-10(3)12-7-9(2)18-11(12)4/h7-8,10,13,15H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).