N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide

C16H20N2O2 — CID 102778029

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1NCCC1C)c1cc2ccccc2o1
InChIInChI=1S/C16H20N2O2/c1-10-7-8-17-15(10)16(19)18-11(2)14-9-12-5-3-4-6-13(12)20-14/h3-6,9-11,15,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyAWWDMCKZMFDSBJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.61
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102778029) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102778029
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1NCCC1C)c1cc2ccccc2o1
InChIInChI=1S/C16H20N2O2/c1-10-7-8-17-15(10)16(19)18-11(2)14-9-12-5-3-4-6-13(12)20-14/h3-6,9-11,15,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyAWWDMCKZMFDSBJ-UHFFFAOYSA-N
XLogP2.61
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-N-[1-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919673
N-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423092
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272386
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 102779169
N-[1-(1-benzofuran-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119691689
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]cyclopentane-1-carboxamide
CID 64822765
N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 43034290
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102779269
N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777686
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983901

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide (CID 102778029) is N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide is CC(NC(=O)C1NCCC1C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is AWWDMCKZMFDSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-7-8-17-15(10)16(19)18-11(2)14-9-12-5-3-4-6-13(12)20-14/h3-6,9-11,15,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102778029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).