methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate

C19H19NO4 — CID 95288517

IUPACmethyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
SMILESCOC(=O)[C@H](NC(=O)CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-24-19(23)18(15-10-6-3-7-11-15)20-17(22)13-12-16(21)14-8-4-2-5-9-14/h2-11,18H,12-13H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyMNTYXNCTRCKAHP-GOSISDBHSA-N
MW325.36 g/mol
LogP2.68
Rot. Bonds7

About methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate

methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate (PubChem CID 95288517) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
PubChem CID95288517
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
SMILESCOC(=O)[C@H](NC(=O)CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-24-19(23)18(15-10-6-3-7-11-15)20-17(22)13-12-16(21)14-8-4-2-5-9-14/h2-11,18H,12-13H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyMNTYXNCTRCKAHP-GOSISDBHSA-N
XLogP2.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
CID 62114406
methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate
CID 11770950
methyl 3-methyl-2-[(4-oxo-4-phenylbutanoyl)amino]butanoate
CID 86978264
methyl 2-(4-aminobutanoylamino)-2-phenylacetate;hydrochloride
CID 119280894
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
CID 62111192
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 4-methyl-2-[(4-oxo-4-phenylbutanoyl)amino]pentanoate
CID 51072605
methyl 2-(5-aminohexanoylamino)-2-phenylacetate
CID 82851192
(2S)-2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 108808855
2-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120688356

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate (CID 95288517) is methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate is COC(=O)[C@H](NC(=O)CCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate?
The InChIKey is MNTYXNCTRCKAHP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19NO4/c1-24-19(23)18(15-10-6-3-7-11-15)20-17(22)13-12-16(21)14-8-4-2-5-9-14/h2-11,18H,12-13H2,1H3,(H,20,22)/t18-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate?
methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate has a molecular weight of 325.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate is sourced from PubChem (CID 95288517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).