N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide

C16H22ClN3O3 — CID 48641749

IUPACN-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC(C)OC(C)(C)C2)c1
InChIInChI=1S/C16H22ClN3O3/c1-10-8-20(9-16(3,4)23-10)15(22)19-14-7-12(18-11(2)21)5-6-13(14)17/h5-7,10H,8-9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyVOICVOGQPMWYLZ-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.33
Rot. Bonds2

About N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide

N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide (PubChem CID 48641749) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide
PubChem CID48641749
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC(C)OC(C)(C)C2)c1
InChIInChI=1S/C16H22ClN3O3/c1-10-8-20(9-16(3,4)23-10)15(22)19-14-7-12(18-11(2)21)5-6-13(14)17/h5-7,10H,8-9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyVOICVOGQPMWYLZ-UHFFFAOYSA-N
XLogP3.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 124627452
N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48630543
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48639256
(6R)-2,2,6-trimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-4-carboxamide
CID 95135103
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 48639893
N-(4-cyclopentyloxyphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48640265
N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide
CID 114779044
N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide
CID 95161860
(6R)-2,2,6-trimethyl-N-[4-(propan-2-yloxymethyl)phenyl]morpholine-4-carboxamide
CID 129403242
(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94176614
4-chloro-3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoic acid
CID 104959706

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide (CID 48641749) is N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide is CC(=O)Nc1ccc(Cl)c(NC(=O)N2CC(C)OC(C)(C)C2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide?
The InChIKey is VOICVOGQPMWYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-10-8-20(9-16(3,4)23-10)15(22)19-14-7-12(18-11(2)21)5-6-13(14)17/h5-7,10H,8-9H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide?
N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide is sourced from PubChem (CID 48641749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).