[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C15H18Cl2N2O4 — CID 7843801

IUPAC[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC[C@@H](C)NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O4/c1-3-9(2)19-13(20)8-23-14(21)7-18-15(22)11-5-4-10(16)6-12(11)17/h4-6,9H,3,7-8H2,1-2H3,(H,18,22)(H,19,20)/t9-/m1/s1
InChIKeyNEVGTYQJJAAEML-SECBINFHSA-N
MW361.23 g/mol
LogP2.18
Rot. Bonds7

About [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 7843801) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID7843801
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Name[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC[C@@H](C)NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O4/c1-3-9(2)19-13(20)8-23-14(21)7-18-15(22)11-5-4-10(16)6-12(11)17/h4-6,9H,3,7-8H2,1-2H3,(H,18,22)(H,19,20)/t9-/m1/s1
InChIKeyNEVGTYQJJAAEML-SECBINFHSA-N
XLogP2.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate with MolForge

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Related Compounds

N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 55399586
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 31124240
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270751
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547921
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547924
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16533895
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843883
[2-(cyclohexylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843884
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270722

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 7843801) is [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is CC[C@@H](C)NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is NEVGTYQJJAAEML-SECBINFHSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-3-9(2)19-13(20)8-23-14(21)7-18-15(22)11-5-4-10(16)6-12(11)17/h4-6,9H,3,7-8H2,1-2H3,(H,18,22)(H,19,20)/t9-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 361.23 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 7843801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).