3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid

C20H21NO5 — CID 122111906

IUPAC3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H21NO5/c1-14(20(24)25)12-21(2)18(22)13-26-17-10-8-16(9-11-17)19(23)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,24,25)
InChIKeyKTZRKRUHUOILPV-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.48
Rot. Bonds8

About 3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid

3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 122111906) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID122111906
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H21NO5/c1-14(20(24)25)12-21(2)18(22)13-26-17-10-8-16(9-11-17)19(23)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,24,25)
InChIKeyKTZRKRUHUOILPV-UHFFFAOYSA-N
XLogP2.48
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic 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

2-[[2-(4-benzoylphenoxy)acetyl]-methylamino]acetamide
CID 56809046
2-(4-benzoylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560002
2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24683025
1-(4-benzoylphenoxy)-3-methylpentan-2-one
CID 71182680
2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 2457089
2-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 9076521
2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 58434171
N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 62334405
(2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119359613
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 3577124
1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one
CID 20507347

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid (CID 122111906) is 3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is KTZRKRUHUOILPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-14(20(24)25)12-21(2)18(22)13-26-17-10-8-16(9-11-17)19(23)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,24,25).
What are the key properties of 3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid?
3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 355.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122111906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).