N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C17H27N3O — CID 60717846

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C1CCCN1
InChIInChI=1S/C17H27N3O/c1-3-20(4-2)13-15-9-6-5-8-14(15)12-19-17(21)16-10-7-11-18-16/h5-6,8-9,16,18H,3-4,7,10-13H2,1-2H3,(H,19,21)
InChIKeyRNIJEEQIDONPON-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.90
Rot. Bonds7

About N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide

N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 60717846) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID60717846
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C1CCCN1
InChIInChI=1S/C17H27N3O/c1-3-20(4-2)13-15-9-6-5-8-14(15)12-19-17(21)16-10-7-11-18-16/h5-6,8-9,16,18H,3-4,7,10-13H2,1-2H3,(H,19,21)
InChIKeyRNIJEEQIDONPON-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119861656
N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43712468
(2R)-N-[[2-(ethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 103795112
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119847432
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631658
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119836618
N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119276890

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 60717846) is N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide is CCN(CC)Cc1ccccc1CNC(=O)C1CCCN1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is RNIJEEQIDONPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20(4-2)13-15-9-6-5-8-14(15)12-19-17(21)16-10-7-11-18-16/h5-6,8-9,16,18H,3-4,7,10-13H2,1-2H3,(H,19,21).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60717846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).