2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid

C21H24N2O4 — CID 119347604

IUPAC2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O4/c24-20(25)16-23(11-10-17-4-2-1-3-5-17)21(26)18-6-8-19(9-7-18)22-12-14-27-15-13-22/h1-9H,10-16H2,(H,24,25)
InChIKeyZXUGCWDLAMVMEL-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.29
Rot. Bonds7

About 2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid

2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid (PubChem CID 119347604) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid
PubChem CID119347604
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O4/c24-20(25)16-23(11-10-17-4-2-1-3-5-17)21(26)18-6-8-19(9-7-18)22-12-14-27-15-13-22/h1-9H,10-16H2,(H,24,25)
InChIKeyZXUGCWDLAMVMEL-UHFFFAOYSA-N
XLogP2.29
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide
CID 120884964
2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347170
2-[[4-(acetamidomethyl)benzoyl]-(2-phenylethyl)amino]acetic acid
CID 119347576
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57110605
N-benzyl-6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 121028194
2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-(2-phenylethyl)amino]acetic acid
CID 119347218
2-[2-phenylethyl-(4-propan-2-ylsulfonylbenzoyl)amino]acetic acid
CID 119347223
2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347295
2-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]-(2-phenylethyl)amino]acetic acid
CID 119347462
2-[(3-chlorobenzoyl)-(2-phenylethyl)amino]acetic acid
CID 99819195
N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide
CID 141124736

Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid (CID 119347604) is 2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid?
The InChIKey is ZXUGCWDLAMVMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(25)16-23(11-10-17-4-2-1-3-5-17)21(26)18-6-8-19(9-7-18)22-12-14-27-15-13-22/h1-9H,10-16H2,(H,24,25).
What are the key properties of 2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid?
2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid has a molecular weight of 368.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).