N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide

C15H23N3O — CID 54938600

IUPACN-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)C1CCN(C)C1
InChIInChI=1S/C15H23N3O/c1-3-16-10-12-6-4-5-7-14(12)17-15(19)13-8-9-18(2)11-13/h4-7,13,16H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyLFDANYCQQMGNNC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.69
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide

N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 54938600) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide
PubChem CID54938600
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)C1CCN(C)C1
InChIInChI=1S/C15H23N3O/c1-3-16-10-12-6-4-5-7-14(12)17-15(19)13-8-9-18(2)11-13/h4-7,13,16H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyLFDANYCQQMGNNC-UHFFFAOYSA-N
XLogP1.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[2-(ethylaminomethyl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119439924
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756
3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119439381
1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119439295
(3R)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338002
(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338001
N-[2-(ethylaminomethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 119440355
N-(2-ethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969544
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide (CID 54938600) is N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide is CCNCc1ccccc1NC(=O)C1CCN(C)C1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is LFDANYCQQMGNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-16-10-12-6-4-5-7-14(12)17-15(19)13-8-9-18(2)11-13/h4-7,13,16H,3,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide?
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.69, 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-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 54938600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).