[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate

C23H28N2O6 — CID 55318028

IUPAC[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
SMILESCOc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C23H28N2O6/c1-16(2)14-24-23(28)17-8-4-5-9-18(17)25-21(26)15-31-22(27)12-13-30-20-11-7-6-10-19(20)29-3/h4-11,16H,12-15H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyDPBYIYLCMQIMRA-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.03
Rot. Bonds11

About [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate (PubChem CID 55318028) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
PubChem CID55318028
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
SMILESCOc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C23H28N2O6/c1-16(2)14-24-23(28)17-8-4-5-9-18(17)25-21(26)15-31-22(27)12-13-30-20-11-7-6-10-19(20)29-3/h4-11,16H,12-15H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyDPBYIYLCMQIMRA-UHFFFAOYSA-N
XLogP3.03
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 31127487
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598474
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 1331749
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 21367669
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841781
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 46673429
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]-N-(2-methylpropyl)benzamide
CID 60615607
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 31124240
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 31124735

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
The IUPAC name of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate (CID 55318028) is [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate.
What is the SMILES notation for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
The canonical SMILES for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate is COc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1C(=O)NCC(C)C.
What is the InChIKey of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
The InChIKey is DPBYIYLCMQIMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-16(2)14-24-23(28)17-8-4-5-9-18(17)25-21(26)15-31-22(27)12-13-30-20-11-7-6-10-19(20)29-3/h4-11,16H,12-15H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate has a molecular weight of 428.49 g/mol, XLogP of 3.03, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate is sourced from PubChem (CID 55318028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).