[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate

C17H21Cl2N3O5 — CID 55399586

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
SMILESCC(C)N(C)C(=O)COC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2N3O5/c1-10(2)22(3)15(24)9-27-16(25)8-20-14(23)7-21-17(26)12-5-4-11(18)6-13(12)19/h4-6,10H,7-9H2,1-3H3,(H,20,23)(H,21,26)
InChIKeyZQWGJGNEEAPOME-UHFFFAOYSA-N
MW418.28 g/mol
LogP1.25
Rot. Bonds8

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate (PubChem CID 55399586) has the molecular formula C17H21Cl2N3O5 and a molecular weight of 418.28 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
PubChem CID55399586
Molecular FormulaC17H21Cl2N3O5
Molecular Weight418.28 g/mol
Exact Mass417.09
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
SMILESCC(C)N(C)C(=O)COC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2N3O5/c1-10(2)22(3)15(24)9-27-16(25)8-20-14(23)7-21-17(26)12-5-4-11(18)6-13(12)19/h4-6,10H,7-9H2,1-3H3,(H,20,23)(H,21,26)
InChIKeyZQWGJGNEEAPOME-UHFFFAOYSA-N
XLogP1.25
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate with MolForge

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Related Compounds

2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
(4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 22830639
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843801
[1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 46794783
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 31124240
2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
CID 111483370
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270722
methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate
CID 29390529
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270751
(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 8635005
2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate (CID 55399586) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate is CC(C)N(C)C(=O)COC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
The InChIKey is ZQWGJGNEEAPOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O5/c1-10(2)22(3)15(24)9-27-16(25)8-20-14(23)7-21-17(26)12-5-4-11(18)6-13(12)19/h4-6,10H,7-9H2,1-3H3,(H,20,23)(H,21,26).
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate has a molecular weight of 418.28 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 55399586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).