2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid

C22H26N2O4 — CID 119224590

IUPAC2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCCC(CC)(C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-3-22(4-2,17-8-6-5-7-9-17)21(28)24-18-12-10-16(11-13-18)14-19(25)23-15-20(26)27/h5-13H,3-4,14-15H2,1-2H3,(H,23,25)(H,24,28)(H,26,27)
InChIKeyUZBWRFUHLGXZJM-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.13
Rot. Bonds9

About 2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224590) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224590
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCCC(CC)(C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1)c1ccccc1
InChIInChI=1S/C22H26N2O4/c1-3-22(4-2,17-8-6-5-7-9-17)21(28)24-18-12-10-16(11-13-18)14-19(25)23-15-20(26)27/h5-13H,3-4,14-15H2,1-2H3,(H,23,25)(H,24,28)(H,26,27)
InChIKeyUZBWRFUHLGXZJM-UHFFFAOYSA-N
XLogP3.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic 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-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224485
2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224549
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2-phenylacetamide
CID 27258908
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224391
2-[[2-[4-(hexadecylamino)phenyl]acetyl]amino]acetic acid
CID 20525838
2-[[2-[4-[[4-(ethylsulfanylmethyl)benzoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224270
[2-(4-ethylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8524003
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 120523468
2-[[2-[4-[2-(2-fluorophenoxy)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224438
2-[[2-[4-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 120523442
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid (CID 119224590) is 2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid is CCC(CC)(C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1)c1ccccc1.
What is the InChIKey of 2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is UZBWRFUHLGXZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-22(4-2,17-8-6-5-7-9-17)21(28)24-18-12-10-16(11-13-18)14-19(25)23-15-20(26)27/h5-13H,3-4,14-15H2,1-2H3,(H,23,25)(H,24,28)(H,26,27).
What are the key properties of 2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 382.46 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).