2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid

C19H22N2O3 — CID 122120087

IUPAC2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid
SMILESCC(CN(C)CC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H22N2O3/c1-14(19(23)24)12-21(2)13-18(22)20-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyFDBAKIWRUDYZKD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.94
Rot. Bonds7

About 2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid

2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid (PubChem CID 122120087) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid
PubChem CID122120087
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid
SMILESCC(CN(C)CC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H22N2O3/c1-14(19(23)24)12-21(2)13-18(22)20-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyFDBAKIWRUDYZKD-UHFFFAOYSA-N
XLogP2.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82326580
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid
CID 122120150
methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013632
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
N-(4-ethylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 55060790
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide
CID 111858641
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid (CID 122120087) is 2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid is CC(CN(C)CC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid?
The InChIKey is FDBAKIWRUDYZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(19(23)24)12-21(2)13-18(22)20-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid has a molecular weight of 326.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid is sourced from PubChem (CID 122120087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).