[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate

C21H23NO6 — CID 8598188

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C21H23NO6/c1-14(2)15-8-10-16(11-9-15)27-13-20(24)28-12-19(23)22-21(25)17-6-4-5-7-18(17)26-3/h4-11,14H,12-13H2,1-3H3,(H,22,23,25)
InChIKeyAYLHNAUYLBVMQZ-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.70
Rot. Bonds8

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate (PubChem CID 8598188) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
PubChem CID8598188
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C21H23NO6/c1-14(2)15-8-10-16(11-9-15)27-13-20(24)28-12-19(23)22-21(25)17-6-4-5-7-18(17)26-3/h4-11,14H,12-13H2,1-3H3,(H,22,23,25)
InChIKeyAYLHNAUYLBVMQZ-UHFFFAOYSA-N
XLogP2.70
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39415072
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8914732
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791148
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570439
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133313
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133312
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918280
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 40696696
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380231
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8597894
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598474
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772763

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate (CID 8598188) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate is COc1ccccc1C(=O)NC(=O)COC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The InChIKey is AYLHNAUYLBVMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-14(2)15-8-10-16(11-9-15)27-13-20(24)28-12-19(23)22-21(25)17-6-4-5-7-18(17)26-3/h4-11,14H,12-13H2,1-3H3,(H,22,23,25).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate has a molecular weight of 385.42 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8598188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).