N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide

C16H22N2O3 — CID 48630543

IUPACN-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CC(C)OC(C)(C)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-9-18(10-16(3,4)21-11)15(20)17-14-7-5-13(6-8-14)12(2)19/h5-8,11H,9-10H2,1-4H3,(H,17,20)
InChIKeyZNGVXXYMQZQOBP-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.92
Rot. Bonds2

About N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide

N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide (PubChem CID 48630543) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
PubChem CID48630543
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CC(C)OC(C)(C)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-9-18(10-16(3,4)21-11)15(20)17-14-7-5-13(6-8-14)12(2)19/h5-8,11H,9-10H2,1-4H3,(H,17,20)
InChIKeyZNGVXXYMQZQOBP-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclopentyloxyphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48640265
(6R)-2,2,6-trimethyl-N-[4-(propan-2-yloxymethyl)phenyl]morpholine-4-carboxamide
CID 129403242
N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48641749
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48639256
2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 48639893
(6R)-2,2,6-trimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-4-carboxamide
CID 95135103
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate
CID 164635761
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 71884973
(3aS,6aS)-5-[(4-acetylphenyl)carbamoyl]-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50979570
2,2,6-trimethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide
CID 48640230

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide (CID 48630543) is N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide is CC(=O)c1ccc(NC(=O)N2CC(C)OC(C)(C)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide?
The InChIKey is ZNGVXXYMQZQOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-9-18(10-16(3,4)21-11)15(20)17-14-7-5-13(6-8-14)12(2)19/h5-8,11H,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide?
N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide is sourced from PubChem (CID 48630543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).