N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide

C16H23N3O2 — CID 104547616

IUPACN-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide
SMILESCNCCc1ccccc1C(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C16H23N3O2/c1-17-10-9-12-6-3-4-7-13(12)16(21)19-11-5-8-14(19)15(20)18-2/h3-4,6-7,14,17H,5,8-11H2,1-2H3,(H,18,20)
InChIKeyXLDBZJWSJXOIAM-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.80
Rot. Bonds5

About N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide

N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 104547616) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide
PubChem CID104547616
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide
SMILESCNCCc1ccccc1C(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C16H23N3O2/c1-17-10-9-12-6-3-4-7-13(12)16(21)19-11-5-8-14(19)15(20)18-2/h3-4,6-7,14,17H,5,8-11H2,1-2H3,(H,18,20)
InChIKeyXLDBZJWSJXOIAM-UHFFFAOYSA-N
XLogP0.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
2-azabicyclo[2.2.1]heptan-2-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547762
(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957626
(4-cyclopropylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547617
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
1-(1H-indole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 60958469
(2S,4S)-4-hydroxy-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 104547992
N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide
CID 107026050
1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 103800275
1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 120609404
(2R)-1-(2-ethylbenzoyl)-N-[4-[2-[4-[[(2S)-1-(2-ethylbenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 91187579
1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61052177

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide (CID 104547616) is N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide is CNCCc1ccccc1C(=O)N1CCCC1C(=O)NC.
What is the InChIKey of N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is XLDBZJWSJXOIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-10-9-12-6-3-4-7-13(12)16(21)19-11-5-8-14(19)15(20)18-2/h3-4,6-7,14,17H,5,8-11H2,1-2H3,(H,18,20).
What are the key properties of N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide?
N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 104547616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).