N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride

C15H25Cl2N3O — CID 119503445

IUPACN-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
SMILESCNCCNC(=O)c1cccc(CN2CCCC2)c1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-16-7-8-17-15(19)14-6-4-5-13(11-14)12-18-9-2-3-10-18;;/h4-6,11,16H,2-3,7-10,12H2,1H3,(H,17,19);2*1H
InChIKeyNSBAAZWHWHJZPW-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride

N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride (PubChem CID 119503445) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
PubChem CID119503445
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC NameN-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
SMILESCNCCNC(=O)c1cccc(CN2CCCC2)c1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-16-7-8-17-15(19)14-6-4-5-13(11-14)12-18-9-2-3-10-18;;/h4-6,11,16H,2-3,7-10,12H2,1H3,(H,17,19);2*1H
InChIKeyNSBAAZWHWHJZPW-UHFFFAOYSA-N
XLogP2.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;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

N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119507486
3-(azepan-1-ylmethyl)-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
CID 118780768
N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119997738
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
N-[[4-(methylsulfamoyl)phenyl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 47517219
2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303
N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119497673
3-(azepan-1-ylmethyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide
CID 118792731
N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide
CID 82166284
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride (CID 119503445) is N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride is CNCCNC(=O)c1cccc(CN2CCCC2)c1.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride?
The InChIKey is NSBAAZWHWHJZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-16-7-8-17-15(19)14-6-4-5-13(11-14)12-18-9-2-3-10-18;;/h4-6,11,16H,2-3,7-10,12H2,1H3,(H,17,19);2*1H.
What are the key properties of N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride?
N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119503445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).