N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide

C17H23N3O4 — CID 18108345

IUPACN-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C17H23N3O4/c1-10-8-20(9-11(2)24-10)17(23)14-5-15(18-12(3)21)7-16(6-14)19-13(4)22/h5-7,10-11H,8-9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyZOWSLDRFINIDPW-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.85
Rot. Bonds3

About N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide

N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide (PubChem CID 18108345) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
PubChem CID18108345
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C17H23N3O4/c1-10-8-20(9-11(2)24-10)17(23)14-5-15(18-12(3)21)7-16(6-14)19-13(4)22/h5-7,10-11H,8-9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyZOWSLDRFINIDPW-UHFFFAOYSA-N
XLogP1.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
N-[3-acetamido-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 18105348
N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide
CID 26348511
N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide
CID 25291916
[3,5-difluoro-4-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960474
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 2247674
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide
CID 95040869
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide (CID 18108345) is N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is ZOWSLDRFINIDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10-8-20(9-11(2)24-10)17(23)14-5-15(18-12(3)21)7-16(6-14)19-13(4)22/h5-7,10-11H,8-9H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide?
N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 18108345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).