[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate

C25H23NO5 — CID 7214914

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
SMILESCOc1ccc(C(=O)COC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-30-21-14-12-19(13-15-21)23(27)17-31-24(28)16-22(18-8-4-2-5-9-18)26-25(29)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyOMRXJNFTABHNSN-QFIPXVFZSA-N
MW417.46 g/mol
LogP3.98
Rot. Bonds9

About [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate

[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate (PubChem CID 7214914) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
PubChem CID7214914
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
SMILESCOc1ccc(C(=O)COC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-30-21-14-12-19(13-15-21)23(27)17-31-24(28)16-22(18-8-4-2-5-9-18)26-25(29)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyOMRXJNFTABHNSN-QFIPXVFZSA-N
XLogP3.98
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl (3S)-3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 40852828
phenacyl 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 3477347
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-benzamido-3-phenylpropanoate
CID 18226931
[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214743
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214693
methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
CID 29170764
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
4-methoxy-N-[(1S)-1-phenylbut-3-ynyl]benzamide
CID 97063453
[2-(3-nitrophenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 126009260
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7044467
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
cyanomethyl (3R)-3-benzamido-3-phenylpropanoate
CID 7214927

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate (CID 7214914) is [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate is COc1ccc(C(=O)COC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate?
The InChIKey is OMRXJNFTABHNSN-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H23NO5/c1-30-21-14-12-19(13-15-21)23(27)17-31-24(28)16-22(18-8-4-2-5-9-18)26-25(29)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,29)/t22-/m0/s1.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate?
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate has a molecular weight of 417.46 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 7214914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).