2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid

C20H22N2O4 — CID 119220473

IUPAC2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid
SMILESCc1ccccc1C(C)(C)C(=O)Nc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C20H22N2O4/c1-13-6-4-5-7-16(13)20(2,3)19(26)22-15-10-8-14(9-11-15)18(25)21-12-17(23)24/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyFPSCGEAUROXVHR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.73
Rot. Bonds6

About 2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid

2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid (PubChem CID 119220473) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid
PubChem CID119220473
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid
SMILESCc1ccccc1C(C)(C)C(=O)Nc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C20H22N2O4/c1-13-6-4-5-7-16(13)20(2,3)19(26)22-15-10-8-14(9-11-15)18(25)21-12-17(23)24/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyFPSCGEAUROXVHR-UHFFFAOYSA-N
XLogP2.73
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224485
3-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]propanoic acid
CID 119252418
2-[[4-[(3-amino-2,2-dimethylpropanoyl)amino]benzoyl]amino]acetic acid
CID 115426496
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid
CID 61196082
2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
2-benzamidoacetic acid;hydrofluoride
CID 174760685
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45435138
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetic acid
CID 24694310

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid (CID 119220473) is 2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid is Cc1ccccc1C(C)(C)C(=O)Nc1ccc(C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid?
The InChIKey is FPSCGEAUROXVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-6-4-5-7-16(13)20(2,3)19(26)22-15-10-8-14(9-11-15)18(25)21-12-17(23)24/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of 2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid?
2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid has a molecular weight of 354.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 119220473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).