[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate

C24H30N2O5 — CID 8598474

IUPAC[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C24H30N2O5/c1-16(2)13-25-24(29)20-7-5-6-8-21(20)26-22(27)14-31-23(28)15-30-19-11-9-18(10-12-19)17(3)4/h5-12,16-17H,13-15H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyWTLGRPDXGZHULE-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.76
Rot. Bonds10

About [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate (PubChem CID 8598474) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
PubChem CID8598474
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C24H30N2O5/c1-16(2)13-25-24(29)20-7-5-6-8-21(20)26-22(27)14-31-23(28)15-30-19-11-9-18(10-12-19)17(3)4/h5-12,16-17H,13-15H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyWTLGRPDXGZHULE-UHFFFAOYSA-N
XLogP3.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598008
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380420
N-(2-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158645
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 55318028
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 1331749
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 31124240
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 31127487
2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 21367669
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598188
methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 35779031

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate (CID 8598474) is [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate is CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The InChIKey is WTLGRPDXGZHULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-16(2)13-25-24(29)20-7-5-6-8-21(20)26-22(27)14-31-23(28)15-30-19-11-9-18(10-12-19)17(3)4/h5-12,16-17H,13-15H2,1-4H3,(H,25,29)(H,26,27).
What are the key properties of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate has a molecular weight of 426.51 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8598474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).