N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride

C16H27Cl2N3O — CID 119859494

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)C2CCNC2)N(C)C)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12-4-6-13(7-5-12)15(19(2)3)11-18-16(20)14-8-9-17-10-14;;/h4-7,14-15,17H,8-11H2,1-3H3,(H,18,20);2*1H
InChIKeySZGMBCYBTVNXSR-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.17
Rot. Bonds5

About N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119859494) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119859494
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)C2CCNC2)N(C)C)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12-4-6-13(7-5-12)15(19(2)3)11-18-16(20)14-8-9-17-10-14;;/h4-7,14-15,17H,8-11H2,1-3H3,(H,18,20);2*1H
InChIKeySZGMBCYBTVNXSR-UHFFFAOYSA-N
XLogP2.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798751
(3R,4S)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120939758
N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116906713
(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94799885
N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119811706
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55949729
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea
CID 60597856

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119859494) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride is Cc1ccc(C(CNC(=O)C2CCNC2)N(C)C)cc1.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is SZGMBCYBTVNXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-12-4-6-13(7-5-12)15(19(2)3)11-18-16(20)14-8-9-17-10-14;;/h4-7,14-15,17H,8-11H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119859494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).