3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid

C25H24N2O4 — CID 90893627

IUPAC3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1cc(C(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-17-15-20(27-11-13-31-14-12-27)8-10-23(17)26-24(28)22-16-19(25(29)30)7-9-21(22)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,26,28)(H,29,30)
InChIKeyGAQJOXHGYWMDDY-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.45
Rot. Bonds5

About 3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid

3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid (PubChem CID 90893627) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid.

Molecular Properties

Compound Name3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid
PubChem CID90893627
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1cc(C(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-17-15-20(27-11-13-31-14-12-27)8-10-23(17)26-24(28)22-16-19(25(29)30)7-9-21(22)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,26,28)(H,29,30)
InChIKeyGAQJOXHGYWMDDY-UHFFFAOYSA-N
XLogP4.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate
CID 90833267
N-(2-acetyl-4-morpholin-4-ylphenyl)-4-phenylbenzamide
CID 71711464
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4794943
1-tert-butyl-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 78896475
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methylbenzamide
CID 110362732
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 55615367
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide
CID 37317926
4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
CID 154773651
N-(2-benzoyl-4-chlorophenyl)-4-morpholin-4-ylbenzamide
CID 21367719

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid?
The IUPAC name of 3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid (CID 90893627) is 3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid.
What is the SMILES notation for 3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid?
The canonical SMILES for 3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid is Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(C(=O)O)ccc1-c1ccccc1.
What is the InChIKey of 3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid?
The InChIKey is GAQJOXHGYWMDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17-15-20(27-11-13-31-14-12-27)8-10-23(17)26-24(28)22-16-19(25(29)30)7-9-21(22)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,26,28)(H,29,30).
What are the key properties of 3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid?
3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid has a molecular weight of 416.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid is sourced from PubChem (CID 90893627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).