N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide

C21H25N3O2 — CID 119650299

IUPACN-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide
SMILESCNCC1CCCN1C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C21H25N3O2/c1-22-15-19-12-7-13-24(19)21(26)17-9-6-8-16(14-17)20(25)23(2)18-10-4-3-5-11-18/h3-6,8-11,14,19,22H,7,12-13,15H2,1-2H3
InChIKeyJYNWUPKJBUFUBH-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.79
Rot. Bonds5

About N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide

N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide (PubChem CID 119650299) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide
PubChem CID119650299
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide
SMILESCNCC1CCCN1C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C21H25N3O2/c1-22-15-19-12-7-13-24(19)21(26)17-9-6-8-16(14-17)20(25)23(2)18-10-4-3-5-11-18/h3-6,8-11,14,19,22H,7,12-13,15H2,1-2H3
InChIKeyJYNWUPKJBUFUBH-UHFFFAOYSA-N
XLogP2.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119370650
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 119650920
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 81484757
[3-(benzenesulfonylmethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119652101
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 81484224
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
N-benzyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119650431
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 115316307
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119651472
(4-hydroxy-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 107672250

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide?
The IUPAC name of N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide (CID 119650299) is N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide?
The canonical SMILES for N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide is CNCC1CCCN1C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide?
The InChIKey is JYNWUPKJBUFUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-22-15-19-12-7-13-24(19)21(26)17-9-6-8-16(14-17)20(25)23(2)18-10-4-3-5-11-18/h3-6,8-11,14,19,22H,7,12-13,15H2,1-2H3.
What are the key properties of N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide?
N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide is sourced from PubChem (CID 119650299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).