N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride

C19H31Cl2N3O — CID 119884965

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)CNCC1CC1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-21(19(23)12-20-11-16-7-8-16)13-18-9-10-22(15-18)14-17-5-3-2-4-6-17;;/h2-6,16,18,20H,7-15H2,1H3;2*1H
InChIKeyQRAPQTKFXCOSNC-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.81
Rot. Bonds8

About N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride

N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride (PubChem CID 119884965) has the molecular formula C19H31Cl2N3O and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
PubChem CID119884965
Molecular FormulaC19H31Cl2N3O
Molecular Weight388.38 g/mol
Exact Mass387.18
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)CNCC1CC1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-21(19(23)12-20-11-16-7-8-16)13-18-9-10-22(15-18)14-17-5-3-2-4-6-17;;/h2-6,16,18,20H,7-15H2,1H3;2*1H
InChIKeyQRAPQTKFXCOSNC-UHFFFAOYSA-N
XLogP2.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
3-(2-aminophenyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylpropanamide;dihydrochloride
CID 120613151
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119884980
1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119884983
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119885001
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 136511981
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 119884957
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride (CID 119884965) is N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride is CN(CC1CCN(Cc2ccccc2)C1)C(=O)CNCC1CC1.Cl.Cl.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride?
The InChIKey is QRAPQTKFXCOSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.2ClH/c1-21(19(23)12-20-11-16-7-8-16)13-18-9-10-22(15-18)14-17-5-3-2-4-6-17;;/h2-6,16,18,20H,7-15H2,1H3;2*1H.
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride?
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride has a molecular weight of 388.38 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride is sourced from PubChem (CID 119884965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).