[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate

C21H24N2O5 — CID 9405454

IUPAC[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)COc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H24N2O5/c1-13-9-14(2)20(15(3)10-13)28-12-19(25)27-11-18(24)23-17-7-5-16(6-8-17)21(26)22-4/h5-10H,11-12H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyVJEQQEFLXCTCER-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.53
Rot. Bonds7

About [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate (PubChem CID 9405454) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
PubChem CID9405454
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)COc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H24N2O5/c1-13-9-14(2)20(15(3)10-13)28-12-19(25)27-11-18(24)23-17-7-5-16(6-8-17)21(26)22-4/h5-10H,11-12H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyVJEQQEFLXCTCER-UHFFFAOYSA-N
XLogP2.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate with MolForge

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2577038
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631709
N-(4-tert-butylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7913902
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 40676131
N-(4-methoxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 877304
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 9201449
[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997857
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
CID 34768194
N-[4-(dimethylamino)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978164
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate
CID 46673767
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997830
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345710

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate (CID 9405454) is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate.
What is the SMILES notation for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The canonical SMILES for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate is CNC(=O)c1ccc(NC(=O)COC(=O)COc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The InChIKey is VJEQQEFLXCTCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-13-9-14(2)20(15(3)10-13)28-12-19(25)27-11-18(24)23-17-7-5-16(6-8-17)21(26)22-4/h5-10H,11-12H2,1-4H3,(H,22,26)(H,23,24).
What are the key properties of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate has a molecular weight of 384.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate is sourced from PubChem (CID 9405454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).