N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide

C20H23N3O3 — CID 108504006

IUPACN-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C20H23N3O3/c1-14-12-23(13-15(2)26-14)20(25)19(24)22-18-10-8-17(9-11-18)21-16-6-4-3-5-7-16/h3-11,14-15,21H,12-13H2,1-2H3,(H,22,24)
InChIKeyXXRGHCCEHMGNLI-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.00
Rot. Bonds3

About N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide

N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide (PubChem CID 108504006) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
PubChem CID108504006
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C20H23N3O3/c1-14-12-23(13-15(2)26-14)20(25)19(24)22-18-10-8-17(9-11-18)21-16-6-4-3-5-7-16/h3-11,14-15,21H,12-13H2,1-2H3,(H,22,24)
InChIKeyXXRGHCCEHMGNLI-UHFFFAOYSA-N
XLogP3.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108504026
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
CID 108503966
N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517085
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108524855
N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504097
2-(2,6-dimethylmorpholin-4-yl)-N-[2-(N-methylanilino)phenyl]-2-oxoacetamide
CID 71889091
N-(3,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503965
(Z)-3-anilino-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile
CID 108830737
N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108507023

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide (CID 108504006) is N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide is CC1CN(C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)CC(C)O1.
What is the InChIKey of N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The InChIKey is XXRGHCCEHMGNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-12-23(13-15(2)26-14)20(25)19(24)22-18-10-8-17(9-11-18)21-16-6-4-3-5-7-16/h3-11,14-15,21H,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide has a molecular weight of 353.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 108504006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).