methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate

C16H16N2O3 — CID 62109453

IUPACmethyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1ccccc1N)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)14(11-7-3-2-4-8-11)18-15(19)12-9-5-6-10-13(12)17/h2-10,14H,17H2,1H3,(H,18,19)
InChIKeyAHBSCMUDGOGERK-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.91
Rot. Bonds4

About methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate

methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate (PubChem CID 62109453) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
PubChem CID62109453
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1ccccc1N)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)14(11-7-3-2-4-8-11)18-15(19)12-9-5-6-10-13(12)17/h2-10,14H,17H2,1H3,(H,18,19)
InChIKeyAHBSCMUDGOGERK-UHFFFAOYSA-N
XLogP1.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate
CID 94817951
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864
methyl 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetate
CID 62109188
methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate
CID 63102517
methyl 2-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
CID 40541065
(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
CID 25068369
methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate
CID 10430798
methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate
CID 71580592

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate (CID 62109453) is methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)c1ccccc1N)c1ccccc1.
What is the InChIKey of methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate?
The InChIKey is AHBSCMUDGOGERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-16(20)14(11-7-3-2-4-8-11)18-15(19)12-9-5-6-10-13(12)17/h2-10,14H,17H2,1H3,(H,18,19).
What are the key properties of methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate?
methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate has a molecular weight of 284.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate is sourced from PubChem (CID 62109453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).