3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide

C21H27N3O — CID 98873287

IUPAC3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CN[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1
InChIInChI=1S/C21H27N3O/c1-16-13-24(14-17-7-4-3-5-8-17)15-20(16)23-12-18-9-6-10-19(11-18)21(25)22-2/h3-11,16,20,23H,12-15H2,1-2H3,(H,22,25)/t16-,20+/m0/s1
InChIKeyDRMUUNNTWDSJIC-OXJNMPFZSA-N
MW337.47 g/mol
LogP2.66
Rot. Bonds6

About 3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide

3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide (PubChem CID 98873287) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide
PubChem CID98873287
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CN[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1
InChIInChI=1S/C21H27N3O/c1-16-13-24(14-17-7-4-3-5-8-17)15-20(16)23-12-18-9-6-10-19(11-18)21(25)22-2/h3-11,16,20,23H,12-15H2,1-2H3,(H,22,25)/t16-,20+/m0/s1
InChIKeyDRMUUNNTWDSJIC-OXJNMPFZSA-N
XLogP2.66
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 166355412
3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 146143912
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 97055439
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride
CID 119889790
3-[[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 110959660
4-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]-3,3-dimethylbutan-1-ol
CID 97055613
N-[4-[2-[[(3R,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055470
N-[4-[2-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]amino]ethyl]phenyl]acetamide
CID 97055469
4-[[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122010099
N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129429508

Frequently Asked Questions

What is the IUPAC name of 3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide (CID 98873287) is 3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CN[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c1.
What is the InChIKey of 3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide?
The InChIKey is DRMUUNNTWDSJIC-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-13-24(14-17-7-4-3-5-8-17)15-20(16)23-12-18-9-6-10-19(11-18)21(25)22-2/h3-11,16,20,23H,12-15H2,1-2H3,(H,22,25)/t16-,20+/m0/s1.
What are the key properties of 3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide?
3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide has a molecular weight of 337.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 98873287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).