2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide

C20H25N3O — CID 119947198

IUPAC2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)c1ccccc1N
InChIInChI=1S/C20H25N3O/c1-22(20(24)18-9-5-6-10-19(18)21)13-17-11-12-23(15-17)14-16-7-3-2-4-8-16/h2-10,17H,11-15,21H2,1H3
InChIKeyDZBSQVBNUPSMOS-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.86
Rot. Bonds5

About 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide

2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide (PubChem CID 119947198) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
PubChem CID119947198
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)c1ccccc1N
InChIInChI=1S/C20H25N3O/c1-22(20(24)18-9-5-6-10-19(18)21)13-17-11-12-23(15-17)14-16-7-3-2-4-8-16/h2-10,17H,11-15,21H2,1H3
InChIKeyDZBSQVBNUPSMOS-UHFFFAOYSA-N
XLogP2.86
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylpropanamide;dihydrochloride
CID 120613151
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride
CID 119946678
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119884983
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
CID 119884965
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-5-chloro-N-methylpyrimidine-4-carboxamide
CID 124609847
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 136511981
N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119039115
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 11697139
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119885001

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide?
The IUPAC name of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide (CID 119947198) is 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide is CN(CC1CCN(Cc2ccccc2)C1)C(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide?
The InChIKey is DZBSQVBNUPSMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(20(24)18-9-5-6-10-19(18)21)13-17-11-12-23(15-17)14-16-7-3-2-4-8-16/h2-10,17H,11-15,21H2,1H3.
What are the key properties of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide?
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide has a molecular weight of 323.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 119947198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).