N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 119889619

IUPACN-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)C2CCNC2)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-12-16(20-18(22)15-6-7-19-13-15)4-5-17(14)23-11-10-21-8-2-3-9-21;;/h4-5,12,15,19H,2-3,6-11,13H2,1H3,(H,20,22);2*1H
InChIKeyUFSGOIWVBLETRW-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.86
Rot. Bonds6

About N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119889619) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119889619
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC NameN-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)C2CCNC2)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-12-16(20-18(22)15-6-7-19-13-15)4-5-17(14)23-11-10-21-8-2-3-9-21;;/h4-5,12,15,19H,2-3,6-11,13H2,1H3,(H,20,22);2*1H
InChIKeyUFSGOIWVBLETRW-UHFFFAOYSA-N
XLogP2.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;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-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119889613
(2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 120942024
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942278
1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889581
4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride
CID 119889617
[4-[2-(4-chloro-2-methylphenoxy)ethyl]piperazin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 97437195
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
CID 119848878
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277132
N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119786762
2-(aminomethyl)-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119889603
N-(3-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 98034216
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119889619) is N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride is Cc1cc(NC(=O)C2CCNC2)ccc1OCCN1CCCC1.Cl.Cl.
What is the InChIKey of N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is UFSGOIWVBLETRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-14-12-16(20-18(22)15-6-7-19-13-15)4-5-17(14)23-11-10-21-8-2-3-9-21;;/h4-5,12,15,19H,2-3,6-11,13H2,1H3,(H,20,22);2*1H.
What are the key properties of N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119889619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).