4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid

C25H30N2O5 — CID 70987635

IUPAC4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC1CN(C(=O)Nc2ccc(-c3ccc(C(=O)CC(C)(C)C(=O)O)cc3)cc2)CC(C)O1
InChIInChI=1S/C25H30N2O5/c1-16-14-27(15-17(2)32-16)24(31)26-21-11-9-19(10-12-21)18-5-7-20(8-6-18)22(28)13-25(3,4)23(29)30/h5-12,16-17H,13-15H2,1-4H3,(H,26,31)(H,29,30)
InChIKeyACXVNWRAKQJXMY-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.68
Rot. Bonds6

About 4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid

4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 70987635) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID70987635
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC1CN(C(=O)Nc2ccc(-c3ccc(C(=O)CC(C)(C)C(=O)O)cc3)cc2)CC(C)O1
InChIInChI=1S/C25H30N2O5/c1-16-14-27(15-17(2)32-16)24(31)26-21-11-9-19(10-12-21)18-5-7-20(8-6-18)22(28)13-25(3,4)23(29)30/h5-12,16-17H,13-15H2,1-4H3,(H,26,31)(H,29,30)
InChIKeyACXVNWRAKQJXMY-UHFFFAOYSA-N
XLogP4.68
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate
CID 971488
4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298256
(2S,6S)-N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 100847173
4-[4-[4-(1,3-dihydroisoindole-2-carbonylamino)phenyl]phenyl]-2,2-dimethyl-4-oxobutanoate
CID 86633660
(2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide
CID 95571020
butyl 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoate
CID 47039962
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
(2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide
CID 95315876
2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide
CID 60577463

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid (CID 70987635) is 4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid is CC1CN(C(=O)Nc2ccc(-c3ccc(C(=O)CC(C)(C)C(=O)O)cc3)cc2)CC(C)O1.
What is the InChIKey of 4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is ACXVNWRAKQJXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-16-14-27(15-17(2)32-16)24(31)26-21-11-9-19(10-12-21)18-5-7-20(8-6-18)22(28)13-25(3,4)23(29)30/h5-12,16-17H,13-15H2,1-4H3,(H,26,31)(H,29,30).
What are the key properties of 4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid?
4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 438.52 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 70987635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).