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

C21H24N2O4 — CID 119224485

IUPAC2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid
SMILESCc1ccccc1C(C)(C)C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C21H24N2O4/c1-14-6-4-5-7-17(14)21(2,3)20(27)23-16-10-8-15(9-11-16)12-18(24)22-13-19(25)26/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,27)(H,25,26)
InChIKeyGNIXMZCLVMQNHE-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.65
Rot. Bonds7

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

2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224485) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224485
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid
SMILESCc1ccccc1C(C)(C)C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C21H24N2O4/c1-14-6-4-5-7-17(14)21(2,3)20(27)23-16-10-8-15(9-11-16)12-18(24)22-13-19(25)26/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,27)(H,25,26)
InChIKeyGNIXMZCLVMQNHE-UHFFFAOYSA-N
XLogP2.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]benzoyl]amino]acetic acid
CID 119220473
3-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]propanoic acid
CID 119252418
2-[[2-[4-[(2-ethyl-2-phenylbutanoyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224590
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-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 75429273
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224391
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid (CID 119224485) is 2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid is Cc1ccccc1C(C)(C)C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is GNIXMZCLVMQNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-6-4-5-7-17(14)21(2,3)20(27)23-16-10-8-15(9-11-16)12-18(24)22-13-19(25)26/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,27)(H,25,26).
What are the key properties of 2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 368.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).