methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate

C16H16N2O3 — CID 62109189

IUPACmethyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)Cc1ccncc1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)15(13-5-3-2-4-6-13)18-14(19)11-12-7-9-17-10-8-12/h2-10,15H,11H2,1H3,(H,18,19)
InChIKeyIXLBBEXVZWLGDQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.65
Rot. Bonds5

About methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate

methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate (PubChem CID 62109189) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
PubChem CID62109189
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)Cc1ccncc1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)15(13-5-3-2-4-6-13)18-14(19)11-12-7-9-17-10-8-12/h2-10,15H,11H2,1H3,(H,18,19)
InChIKeyIXLBBEXVZWLGDQ-UHFFFAOYSA-N
XLogP1.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 62110186
methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 62109356
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
methyl 2-(4-aminobutanoylamino)-2-phenylacetate;hydrochloride
CID 119280894
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
CID 95288517
methyl 2-(3-methylpentanoylamino)-2-phenylacetate
CID 85168075
4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300204
methyl (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 71818996
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
CID 62111192

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate?
The IUPAC name of methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate (CID 62109189) is methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate.
What is the SMILES notation for methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate?
The canonical SMILES for methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate is COC(=O)C(NC(=O)Cc1ccncc1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate?
The InChIKey is IXLBBEXVZWLGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-16(20)15(13-5-3-2-4-6-13)18-14(19)11-12-7-9-17-10-8-12/h2-10,15H,11H2,1H3,(H,18,19).
What are the key properties of methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate?
methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate has a molecular weight of 284.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate is sourced from PubChem (CID 62109189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).