N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C15H21N3O2 — CID 119439924

IUPACN-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C15H21N3O2/c1-3-16-9-11-6-4-5-7-13(11)17-15(20)12-8-14(19)18(2)10-12/h4-7,12,16H,3,8-10H2,1-2H3,(H,17,20)
InChIKeyFWSGNZIURWUHRU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.21
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 119439924) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID119439924
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C15H21N3O2/c1-3-16-9-11-6-4-5-7-13(11)17-15(20)12-8-14(19)18(2)10-12/h4-7,12,16H,3,8-10H2,1-2H3,(H,17,20)
InChIKeyFWSGNZIURWUHRU-UHFFFAOYSA-N
XLogP1.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119440503
N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119440714
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide
CID 54938600
N-[2-(ethylaminomethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 119440355
2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid
CID 129467310
(3R)-1-ethyl-N-[2-(methoxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94118374
1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119440143
4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119439439
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571
(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8570864
N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide
CID 75395648
1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185041

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 119439924) is N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CCNCc1ccccc1NC(=O)C1CC(=O)N(C)C1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FWSGNZIURWUHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-16-9-11-6-4-5-7-13(11)17-15(20)12-8-14(19)18(2)10-12/h4-7,12,16H,3,8-10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119439924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).