[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate

C21H24N2O5 — CID 40706651

IUPAC[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)COc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C21H24N2O5/c1-13-5-8-18(16(4)9-13)22-21(26)23-19(24)11-28-20(25)12-27-17-7-6-14(2)15(3)10-17/h5-10H,11-12H2,1-4H3,(H2,22,23,24,26)
InChIKeyKFXXXPOWEWZDNC-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.19
Rot. Bonds6

About [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate (PubChem CID 40706651) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
PubChem CID40706651
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)COc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C21H24N2O5/c1-13-5-8-18(16(4)9-13)22-21(26)23-19(24)11-28-20(25)12-27-17-7-6-14(2)15(3)10-17/h5-10H,11-12H2,1-4H3,(H2,22,23,24,26)
InChIKeyKFXXXPOWEWZDNC-UHFFFAOYSA-N
XLogP3.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527827
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846193
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924160
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 40706675
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595886
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855552
N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide
CID 7834460
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8631752
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 7747785
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923873
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7889939
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27213272

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate (CID 40706651) is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The canonical SMILES for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate is Cc1ccc(NC(=O)NC(=O)COC(=O)COc2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The InChIKey is KFXXXPOWEWZDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-13-5-8-18(16(4)9-13)22-21(26)23-19(24)11-28-20(25)12-27-17-7-6-14(2)15(3)10-17/h5-10H,11-12H2,1-4H3,(H2,22,23,24,26).
What are the key properties of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate has a molecular weight of 384.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate is sourced from PubChem (CID 40706651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).