N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide

C21H32ClN3O2 — CID 86850390

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
SMILESCC1CN(CC2CCCN2CC(=O)NCCc2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C21H32ClN3O2/c1-16-12-24(13-17(2)27-16)14-20-4-3-11-25(20)15-21(26)23-10-9-18-5-7-19(22)8-6-18/h5-8,16-17,20H,3-4,9-15H2,1-2H3,(H,23,26)
InChIKeyOQSQHLNMFPWMSF-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.57
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide (PubChem CID 86850390) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
PubChem CID86850390
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
SMILESCC1CN(CC2CCCN2CC(=O)NCCc2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C21H32ClN3O2/c1-16-12-24(13-17(2)27-16)14-20-4-3-11-25(20)15-21(26)23-10-9-18-5-7-19(22)8-6-18/h5-8,16-17,20H,3-4,9-15H2,1-2H3,(H,23,26)
InChIKeyOQSQHLNMFPWMSF-UHFFFAOYSA-N
XLogP2.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 75921586
N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 100842720
2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 52506437
N-cyclopropyl-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56799450
N-cyclopropyl-2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95171694
N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 47810584
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid
CID 16807058
2-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 98727445
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 94798443
N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921406
N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62047041
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 124834625

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide (CID 86850390) is N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide is CC1CN(CC2CCCN2CC(=O)NCCc2ccc(Cl)cc2)CC(C)O1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is OQSQHLNMFPWMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3O2/c1-16-12-24(13-17(2)27-16)14-20-4-3-11-25(20)15-21(26)23-10-9-18-5-7-19(22)8-6-18/h5-8,16-17,20H,3-4,9-15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 393.96 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 86850390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).