[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate

C22H26N2O6 — CID 16571065

IUPAC[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)NC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H26N2O6/c1-4-28-18-7-9-19(10-8-18)29-12-11-21(26)30-14-20(25)24-22(27)23-17-6-5-15(2)16(3)13-17/h5-10,13H,4,11-12,14H2,1-3H3,(H2,23,24,25,27)
InChIKeyHLWPTWYTOQHBIU-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.36
Rot. Bonds9

About [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate

[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate (PubChem CID 16571065) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
PubChem CID16571065
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)NC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H26N2O6/c1-4-28-18-7-9-19(10-8-18)29-12-11-21(26)30-14-20(25)24-22(27)23-17-6-5-15(2)16(3)13-17/h5-10,13H,4,11-12,14H2,1-3H3,(H2,23,24,25,27)
InChIKeyHLWPTWYTOQHBIU-UHFFFAOYSA-N
XLogP3.36
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27213272
[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535303
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 6-acetamidohexanoate
CID 55734747
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 29378856
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133058
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139525
(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(3,4-dimethylanilino)-4-oxobutanoate
CID 17260934
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535255

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The IUPAC name of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate (CID 16571065) is [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate.
What is the SMILES notation for [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The canonical SMILES for [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate is CCOc1ccc(OCCC(=O)OCC(=O)NC(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The InChIKey is HLWPTWYTOQHBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-4-28-18-7-9-19(10-8-18)29-12-11-21(26)30-14-20(25)24-22(27)23-17-6-5-15(2)16(3)13-17/h5-10,13H,4,11-12,14H2,1-3H3,(H2,23,24,25,27).
What are the key properties of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate has a molecular weight of 414.46 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate is sourced from PubChem (CID 16571065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).