3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid

C19H20N2O4 — CID 53052846

IUPAC3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O4/c1-13-2-4-14(5-3-13)18(22)20-16-12-15(19(23)24)6-7-17(16)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)(H,23,24)
InChIKeyKGNNOABIUOBAIS-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.78
Rot. Bonds4

About 3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid

3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid (PubChem CID 53052846) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
PubChem CID53052846
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O4/c1-13-2-4-14(5-3-13)18(22)20-16-12-15(19(23)24)6-7-17(16)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)(H,23,24)
InChIKeyKGNNOABIUOBAIS-UHFFFAOYSA-N
XLogP2.78
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052897
3-[(4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285212
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
3-[(2-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146053623
3-[(2-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052916
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 95063995
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-methylbenzoyl)amino]benzoic acid
CID 46285219
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
3-[(4-methylbenzoyl)amino]-4-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]benzoic acid
CID 46285225
3,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 1296278
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid?
The IUPAC name of 3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid (CID 53052846) is 3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCOCC2)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid?
The InChIKey is KGNNOABIUOBAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-2-4-14(5-3-13)18(22)20-16-12-15(19(23)24)6-7-17(16)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid?
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 53052846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).