2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

C15H23N3O — CID 110476079

IUPAC2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2ccccc2N(C)C)C1
InChIInChI=1S/C15H23N3O/c1-17(2)14-7-5-4-6-13(14)15(19)16-10-12-8-9-18(3)11-12/h4-7,12H,8-11H2,1-3H3,(H,16,19)
InChIKeyRZJQSLOEWMTZTR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.43
Rot. Bonds4

About 2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 110476079) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
PubChem CID110476079
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2ccccc2N(C)C)C1
InChIInChI=1S/C15H23N3O/c1-17(2)14-7-5-4-6-13(14)15(19)16-10-12-8-9-18(3)11-12/h4-7,12H,8-11H2,1-3H3,(H,16,19)
InChIKeyRZJQSLOEWMTZTR-UHFFFAOYSA-N
XLogP1.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide
CID 106770794
3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 62660266
2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62181266
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95207411
2-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-3-nitrobenzamide
CID 115930947
2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 42098691
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
CID 95210574

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (CID 110476079) is 2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is CN1CCC(CNC(=O)c2ccccc2N(C)C)C1.
What is the InChIKey of 2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is RZJQSLOEWMTZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(2)14-7-5-4-6-13(14)15(19)16-10-12-8-9-18(3)11-12/h4-7,12H,8-11H2,1-3H3,(H,16,19).
What are the key properties of 2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 110476079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).