N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 119849719

IUPACN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1cccc(C(CNC(=O)C2CCNC2)N2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-3-2-4-15(11-14)17(21-7-9-23-10-8-21)13-20-18(22)16-5-6-19-12-16;;/h2-4,11,16-17,19H,5-10,12-13H2,1H3,(H,20,22);2*1H
InChIKeyDGOPXIQKONQWHZ-UHFFFAOYSA-N
MW390.36 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119849719) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119849719
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC NameN-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1cccc(C(CNC(=O)C2CCNC2)N2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-3-2-4-15(11-14)17(21-7-9-23-10-8-21)13-20-18(22)16-5-6-19-12-16;;/h2-4,11,16-17,19H,5-10,12-13H2,1H3,(H,20,22);2*1H
InChIKeyDGOPXIQKONQWHZ-UHFFFAOYSA-N
XLogP1.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 119829137
N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide
CID 119841324
N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 119872524
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride
CID 119866007
(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120634306
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849677
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119849719) is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride is Cc1cccc(C(CNC(=O)C2CCNC2)N2CCOCC2)c1.Cl.Cl.
What is the InChIKey of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is DGOPXIQKONQWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-14-3-2-4-15(11-14)17(21-7-9-23-10-8-21)13-20-18(22)16-5-6-19-12-16;;/h2-4,11,16-17,19H,5-10,12-13H2,1H3,(H,20,22);2*1H.
What are the key properties of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119849719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).