[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate

C24H23NO5 — CID 8912968

IUPAC[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)O[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H23NO5/c1-17-12-14-19(15-13-17)25-24(27)23(18-8-4-3-5-9-18)30-22(26)16-29-21-11-7-6-10-20(21)28-2/h3-15,23H,16H2,1-2H3,(H,25,27)/t23-/m0/s1
InChIKeyNUOPMKSWDFDNKM-QHCPKHFHSA-N
MW405.45 g/mol
LogP4.31
Rot. Bonds8

About [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate

[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 8912968) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID8912968
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)O[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C24H23NO5/c1-17-12-14-19(15-13-17)25-24(27)23(18-8-4-3-5-9-18)30-22(26)16-29-21-11-7-6-10-20(21)28-2/h3-15,23H,16H2,1-2H3,(H,25,27)/t23-/m0/s1
InChIKeyNUOPMKSWDFDNKM-QHCPKHFHSA-N
XLogP4.31
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate with MolForge

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Related Compounds

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912825
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate
CID 7796632
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)acetate
CID 46645502
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011333
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854094
2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 8515643
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate
CID 7767655
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate
CID 8610004
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853368
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
CID 2590287

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate (CID 8912968) is [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)O[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is NUOPMKSWDFDNKM-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23NO5/c1-17-12-14-19(15-13-17)25-24(27)23(18-8-4-3-5-9-18)30-22(26)16-29-21-11-7-6-10-20(21)28-2/h3-15,23H,16H2,1-2H3,(H,25,27)/t23-/m0/s1.
What are the key properties of [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate?
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 405.45 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 8912968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).