[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

C16H20Cl2N2O4 — CID 7880742

IUPAC[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCC(C)CCNC(=O)COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O4/c1-10(2)5-6-19-14(21)9-24-15(22)8-20-16(23)11-3-4-12(17)13(18)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyURZBQBZQBVZTGW-UHFFFAOYSA-N
MW375.25 g/mol
LogP2.43
Rot. Bonds8

About [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (PubChem CID 7880742) has the molecular formula C16H20Cl2N2O4 and a molecular weight of 375.25 g/mol. Its IUPAC name is [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
PubChem CID7880742
Molecular FormulaC16H20Cl2N2O4
Molecular Weight375.25 g/mol
Exact Mass374.08
IUPAC Name[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCC(C)CCNC(=O)COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O4/c1-10(2)5-6-19-14(21)9-24-15(22)8-20-16(23)11-3-4-12(17)13(18)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyURZBQBZQBVZTGW-UHFFFAOYSA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate with MolForge

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Related Compounds

3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
CID 7783115
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372
[2-(3-methylbutylamino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883172
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807951
[2-(3-methylbutylamino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859585
2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880664
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 22831050
[2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880936
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (CID 7880742) is [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is CC(C)CCNC(=O)COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The InChIKey is URZBQBZQBVZTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O4/c1-10(2)5-6-19-14(21)9-24-15(22)8-20-16(23)11-3-4-12(17)13(18)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate has a molecular weight of 375.25 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 7880742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).