methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate

C24H19NO3 — CID 71580592

IUPACmethyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate
SMILESCOC(=O)[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H19NO3/c1-28-24(27)22(20-10-6-3-7-11-20)25-23(26)21-16-14-19(15-17-21)13-12-18-8-4-2-5-9-18/h2-11,14-17,22H,1H3,(H,25,26)/t22-/m1/s1
InChIKeyWYGUACNXIHYKNQ-JOCHJYFZSA-N
MW369.42 g/mol
LogP3.73
Rot. Bonds4

About methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate

methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate (PubChem CID 71580592) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate
PubChem CID71580592
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Namemethyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate
SMILESCOC(=O)[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H19NO3/c1-28-24(27)22(20-10-6-3-7-11-20)25-23(26)21-16-14-19(15-17-21)13-12-18-8-4-2-5-9-18/h2-11,14-17,22H,1H3,(H,25,26)/t22-/m1/s1
InChIKeyWYGUACNXIHYKNQ-JOCHJYFZSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl 3-(methylideneamino)-2-[[4-(2-phenylethynyl)benzoyl]amino]butanoate
CID 163704189
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
CID 62109863
methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
CID 40541065
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate
CID 106753818
methyl 2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetate
CID 607125
methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
CID 62109453
(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
CID 30112923
methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate (CID 71580592) is methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate is COC(=O)[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate?
The InChIKey is WYGUACNXIHYKNQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H19NO3/c1-28-24(27)22(20-10-6-3-7-11-20)25-23(26)21-16-14-19(15-17-21)13-12-18-8-4-2-5-9-18/h2-11,14-17,22H,1H3,(H,25,26)/t22-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate?
methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate has a molecular weight of 369.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate is sourced from PubChem (CID 71580592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).