N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 119866459

IUPACN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)C2COCCN2)N2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-4-6-15(7-5-14)17(21-9-2-3-10-21)12-20-18(22)16-13-23-11-8-19-16;;/h4-7,16-17,19H,2-3,8-13H2,1H3,(H,20,22);2*1H
InChIKeyFTMADUSUZCFRDD-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119866459) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119866459
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC NameN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)C2COCCN2)N2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-4-6-15(7-5-14)17(21-9-2-3-10-21)12-20-18(22)16-13-23-11-8-19-16;;/h4-7,16-17,19H,2-3,8-13H2,1H3,(H,20,22);2*1H
InChIKeyFTMADUSUZCFRDD-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119831374
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride
CID 119860439
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
CID 119867123
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide
CID 119866526
(2S,4S)-2-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;hydrochloride
CID 120634783
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
(2R,3S)-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
CID 120939770
N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 7384699
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide
CID 55900196
N-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-3-carboxamide;dihydrochloride
CID 119856776
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 43842812

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride (CID 119866459) is N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride is Cc1ccc(C(CNC(=O)C2COCCN2)N2CCCC2)cc1.Cl.Cl.
What is the InChIKey of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is FTMADUSUZCFRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-14-4-6-15(7-5-14)17(21-9-2-3-10-21)12-20-18(22)16-13-23-11-8-19-16;;/h4-7,16-17,19H,2-3,8-13H2,1H3,(H,20,22);2*1H.
What are the key properties of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride?
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119866459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).