2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid

C21H24N2O4 — CID 120518052

IUPAC2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid
SMILESCC(C)C(=O)N(C)Cc1ccc(C(=O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-14(2)20(25)23(3)13-15-9-11-17(12-10-15)19(24)22-18(21(26)27)16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3,(H,22,24)(H,26,27)
InChIKeyLVYPLUYBYMSAHX-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.86
Rot. Bonds7

About 2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid

2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid (PubChem CID 120518052) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid
PubChem CID120518052
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid
SMILESCC(C)C(=O)N(C)Cc1ccc(C(=O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-14(2)20(25)23(3)13-15-9-11-17(12-10-15)19(24)22-18(21(26)27)16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3,(H,22,24)(H,26,27)
InChIKeyLVYPLUYBYMSAHX-UHFFFAOYSA-N
XLogP2.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-2-[4-(carboxymethyl)phenyl]acetic acid
CID 19741702
4-[2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]ethyl]benzoic acid
CID 120513002
N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
CID 86781611
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
(2R)-2-[(4-butan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367835
N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24662353
N-[(1S)-2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]benzamide
CID 38228396
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
4-[[2-aminopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 54871424
(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119367792
benzyl N-[(2S)-1-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-1-oxopropan-2-yl]carbamate
CID 8965653
N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide
CID 55779074

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid (CID 120518052) is 2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid is CC(C)C(=O)N(C)Cc1ccc(C(=O)NC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid?
The InChIKey is LVYPLUYBYMSAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(2)20(25)23(3)13-15-9-11-17(12-10-15)19(24)22-18(21(26)27)16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3,(H,22,24)(H,26,27).
What are the key properties of 2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid?
2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid has a molecular weight of 368.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 120518052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).