[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

C25H25NO5 — CID 8520907

IUPAC[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO5/c1-29-21-12-14-22(15-13-21)30-18-25(28)31-17-24(27)26-23(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-15,23H,16-18H2,1H3,(H,26,27)/t23-/m0/s1
InChIKeyXIFITRXWAUXZJK-QHCPKHFHSA-N
MW419.48 g/mol
LogP3.72
Rot. Bonds10

About [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 8520907) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID8520907
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO5/c1-29-21-12-14-22(15-13-21)30-18-25(28)31-17-24(27)26-23(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-15,23H,16-18H2,1H3,(H,26,27)/t23-/m0/s1
InChIKeyXIFITRXWAUXZJK-QHCPKHFHSA-N
XLogP3.72
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592473
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
[3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate
CID 67561994
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8510915
4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55373772
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
N-(1,2-diphenylethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 18272328
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2590405
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846620
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8534550
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 8520907) is [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is XIFITRXWAUXZJK-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25NO5/c1-29-21-12-14-22(15-13-21)30-18-25(28)31-17-24(27)26-23(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-15,23H,16-18H2,1H3,(H,26,27)/t23-/m0/s1.
What are the key properties of [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 419.48 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 8520907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).