(1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate

C28H29NO6 — CID 4185102

IUPAC(1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
SMILESCCC(OC(=O)CCCC(=O)Nc1ccc(Oc2ccccc2OC)cc1)C(=O)c1ccccc1
InChIInChI=1S/C28H29NO6/c1-3-23(28(32)20-10-5-4-6-11-20)35-27(31)15-9-14-26(30)29-21-16-18-22(19-17-21)34-25-13-8-7-12-24(25)33-2/h4-8,10-13,16-19,23H,3,9,14-15H2,1-2H3,(H,29,30)
InChIKeySLLIHUOHBOIBOY-UHFFFAOYSA-N
MW475.54 g/mol
LogP5.80
Rot. Bonds12

About (1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate

(1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate (PubChem CID 4185102) has the molecular formula C28H29NO6 and a molecular weight of 475.54 g/mol. Its IUPAC name is (1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate.

Molecular Properties

Compound Name(1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
PubChem CID4185102
Molecular FormulaC28H29NO6
Molecular Weight475.54 g/mol
Exact Mass475.20
IUPAC Name(1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
SMILESCCC(OC(=O)CCCC(=O)Nc1ccc(Oc2ccccc2OC)cc1)C(=O)c1ccccc1
InChIInChI=1S/C28H29NO6/c1-3-23(28(32)20-10-5-4-6-11-20)35-27(31)15-9-14-26(30)29-21-16-18-22(19-17-21)34-25-13-8-7-12-24(25)33-2/h4-8,10-13,16-19,23H,3,9,14-15H2,1-2H3,(H,29,30)
InChIKeySLLIHUOHBOIBOY-UHFFFAOYSA-N
XLogP5.80
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.54
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-oxo-1-phenylbutan-2-yl) 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxopentanoate
CID 4305736
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681
(1-oxo-1-phenylpropan-2-yl) 5-(4-fluoroanilino)-5-oxopentanoate
CID 2900218
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
N-[4-(2-methoxyphenoxy)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18139288
N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32765837
N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 27901791
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
[2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
CID 17388477
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate?
The IUPAC name of (1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate (CID 4185102) is (1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate.
What is the SMILES notation for (1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate?
The canonical SMILES for (1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate is CCC(OC(=O)CCCC(=O)Nc1ccc(Oc2ccccc2OC)cc1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate?
The InChIKey is SLLIHUOHBOIBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO6/c1-3-23(28(32)20-10-5-4-6-11-20)35-27(31)15-9-14-26(30)29-21-16-18-22(19-17-21)34-25-13-8-7-12-24(25)33-2/h4-8,10-13,16-19,23H,3,9,14-15H2,1-2H3,(H,29,30).
What are the key properties of (1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate?
(1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate has a molecular weight of 475.54 g/mol, XLogP of 5.80, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylbutan-2-yl) 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate is sourced from PubChem (CID 4185102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).