N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide

C15H19ClN2O3 — CID 108503887

IUPACN-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)NCc2ccccc2Cl)CC(C)O1
InChIInChI=1S/C15H19ClN2O3/c1-10-8-18(9-11(2)21-10)15(20)14(19)17-7-12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3,(H,17,19)
InChIKeyJKUCBTMCTRMIQU-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.59
Rot. Bonds2

About N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide

N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide (PubChem CID 108503887) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
PubChem CID108503887
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)NCc2ccccc2Cl)CC(C)O1
InChIInChI=1S/C15H19ClN2O3/c1-10-8-18(9-11(2)21-10)15(20)14(19)17-7-12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3,(H,17,19)
InChIKeyJKUCBTMCTRMIQU-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[(2-chlorophenyl)methylamino]-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile
CID 108830633
N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504097
2-(2,6-dimethylmorpholin-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 108503950
1-[(2-chlorophenyl)methyl]-3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111174037
N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43327502
N-[2-(2-chlorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]-2-oxoacetamide
CID 125141809
2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 100701243
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
2,6-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51291268
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 42958139
2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934709

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide (CID 108503887) is N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide is CC1CN(C(=O)C(=O)NCc2ccccc2Cl)CC(C)O1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The InChIKey is JKUCBTMCTRMIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-8-18(9-11(2)21-10)15(20)14(19)17-7-12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide has a molecular weight of 310.78 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 108503887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).