2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid

C21H24N2O4 — CID 120541058

IUPAC2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid
SMILESCC(Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1)C(=O)O
InChIInChI=1S/C21H24N2O4/c1-15(21(25)26)14-16-2-6-18(7-3-16)22-20(24)17-4-8-19(9-5-17)23-10-12-27-13-11-23/h2-9,15H,10-14H2,1H3,(H,22,24)(H,25,26)
InChIKeyZPGRJKKASXZHRL-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.04
Rot. Bonds6

About 2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid

2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid (PubChem CID 120541058) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid
PubChem CID120541058
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid
SMILESCC(Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1)C(=O)O
InChIInChI=1S/C21H24N2O4/c1-15(21(25)26)14-16-2-6-18(7-3-16)22-20(24)17-4-8-19(9-5-17)23-10-12-27-13-11-23/h2-9,15H,10-14H2,1H3,(H,22,24)(H,25,26)
InChIKeyZPGRJKKASXZHRL-UHFFFAOYSA-N
XLogP3.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120541421
N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide
CID 67112495
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100523110
4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide
CID 67112698
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
1-[(4-morpholin-4-ylphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 86830614

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid (CID 120541058) is 2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid is CC(Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid?
The InChIKey is ZPGRJKKASXZHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15(21(25)26)14-16-2-6-18(7-3-16)22-20(24)17-4-8-19(9-5-17)23-10-12-27-13-11-23/h2-9,15H,10-14H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid?
2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid has a molecular weight of 368.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 120541058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).