N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C20H32Cl3N3O2 — CID 119876545

IUPACN-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCC1(C)CN(C(CNC(=O)CC2CCCN2)c2ccc(Cl)cc2)CCO1.Cl.Cl
InChIInChI=1S/C20H30ClN3O2.2ClH/c1-20(2)14-24(10-11-26-20)18(15-5-7-16(21)8-6-15)13-23-19(25)12-17-4-3-9-22-17;;/h5-8,17-18,22H,3-4,9-14H2,1-2H3,(H,23,25);2*1H
InChIKeyWNFLFRZCXNXRMR-UHFFFAOYSA-N
MW452.85 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119876545) has the molecular formula C20H32Cl3N3O2 and a molecular weight of 452.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119876545
Molecular FormulaC20H32Cl3N3O2
Molecular Weight452.85 g/mol
Exact Mass451.16
IUPAC NameN-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCC1(C)CN(C(CNC(=O)CC2CCCN2)c2ccc(Cl)cc2)CCO1.Cl.Cl
InChIInChI=1S/C20H30ClN3O2.2ClH/c1-20(2)14-24(10-11-26-20)18(15-5-7-16(21)8-6-15)13-23-19(25)12-17-4-3-9-22-17;;/h5-8,17-18,22H,3-4,9-14H2,1-2H3,(H,23,25);2*1H
InChIKeyWNFLFRZCXNXRMR-UHFFFAOYSA-N
XLogP3.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.85
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119831446
2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 119114926
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
1-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111407150
2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119831525
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119871513
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 110936786
(2S,4S)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634641
(2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 124699693
N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide
CID 61363910
4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133287608

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119876545) is N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is CC1(C)CN(C(CNC(=O)CC2CCCN2)c2ccc(Cl)cc2)CCO1.Cl.Cl.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is WNFLFRZCXNXRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2.2ClH/c1-20(2)14-24(10-11-26-20)18(15-5-7-16(21)8-6-15)13-23-19(25)12-17-4-3-9-22-17;;/h5-8,17-18,22H,3-4,9-14H2,1-2H3,(H,23,25);2*1H.
What are the key properties of N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 452.85 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119876545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).