N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride

C15H25Cl2N3O2 — CID 119844260

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCN(C)CCOc1ccc(NC(=O)C2CCNC2)cc1.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-18(2)9-10-20-14-5-3-13(4-6-14)17-15(19)12-7-8-16-11-12;;/h3-6,12,16H,7-11H2,1-2H3,(H,17,19);2*1H
InChIKeyYKOPGTOSYJNXJX-UHFFFAOYSA-N
MW350.29 g/mol
LogP2.02
Rot. Bonds6

About N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119844260) has the molecular formula C15H25Cl2N3O2 and a molecular weight of 350.29 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119844260
Molecular FormulaC15H25Cl2N3O2
Molecular Weight350.29 g/mol
Exact Mass349.13
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCN(C)CCOc1ccc(NC(=O)C2CCNC2)cc1.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-18(2)9-10-20-14-5-3-13(4-6-14)17-15(19)12-7-8-16-11-12;;/h3-6,12,16H,7-11H2,1-2H3,(H,17,19);2*1H
InChIKeyYKOPGTOSYJNXJX-UHFFFAOYSA-N
XLogP2.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560
N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
CID 119885879
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119294944
(2R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-2-carboxamide
CID 103813549
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102778343
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
methyl 2-[4-[[(3S)-piperidine-3-carbonyl]amino]phenoxy]acetate
CID 81118246
1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 87006886
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119711147
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 63005975

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119844260) is N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride is CN(C)CCOc1ccc(NC(=O)C2CCNC2)cc1.Cl.Cl.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is YKOPGTOSYJNXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.2ClH/c1-18(2)9-10-20-14-5-3-13(4-6-14)17-15(19)12-7-8-16-11-12;;/h3-6,12,16H,7-11H2,1-2H3,(H,17,19);2*1H.
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119844260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).