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

C15H23N3O — CID 94200759

IUPAC3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NC[C@@H]2CCCN2C)c1
InChIInChI=1S/C15H23N3O/c1-17(2)13-7-4-6-12(10-13)15(19)16-11-14-8-5-9-18(14)3/h4,6-7,10,14H,5,8-9,11H2,1-3H3,(H,16,19)/t14-/m0/s1
InChIKeyBBLIOLBBRDHTHB-AWEZNQCLSA-N
MW261.37 g/mol
LogP1.58
Rot. Bonds4

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

3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide (PubChem CID 94200759) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
PubChem CID94200759
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NC[C@@H]2CCCN2C)c1
InChIInChI=1S/C15H23N3O/c1-17(2)13-7-4-6-12(10-13)15(19)16-11-14-8-5-9-18(14)3/h4,6-7,10,14H,5,8-9,11H2,1-3H3,(H,16,19)/t14-/m0/s1
InChIKeyBBLIOLBBRDHTHB-AWEZNQCLSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
CID 112721974
N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
CID 66006240
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-(dimethylamino)benzamide
CID 114317430
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
3-(dimethylamino)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110741562
methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[[3-(dimethylamino)benzoyl]amino]methyl]pyrrolidin-2-yl]acetate
CID 165417394
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137648
3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
CID 100681580
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide (CID 94200759) is 3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide is CN(C)c1cccc(C(=O)NC[C@@H]2CCCN2C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide?
The InChIKey is BBLIOLBBRDHTHB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(2)13-7-4-6-12(10-13)15(19)16-11-14-8-5-9-18(14)3/h4,6-7,10,14H,5,8-9,11H2,1-3H3,(H,16,19)/t14-/m0/s1.
What are the key properties of 3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide?
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 94200759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).