methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate

C15H19Cl2NO3 — CID 43423692

IUPACmethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)Cc1c(Cl)cccc1Cl)C(=O)OC
InChIInChI=1S/C15H19Cl2NO3/c1-4-8-15(2,14(20)21-3)18-13(19)9-10-11(16)6-5-7-12(10)17/h5-7H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyFUBNCJPMYRJHQC-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.38
Rot. Bonds6

About methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate

methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate (PubChem CID 43423692) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate
PubChem CID43423692
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Namemethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)Cc1c(Cl)cccc1Cl)C(=O)OC
InChIInChI=1S/C15H19Cl2NO3/c1-4-8-15(2,14(20)21-3)18-13(19)9-10-11(16)6-5-7-12(10)17/h5-7H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyFUBNCJPMYRJHQC-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423685
methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
CID 62388212
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-2-methylpentanoate
CID 43423735
methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate
CID 61399994
1-chloro-3-methylbenzene;methyl 2-acetamido-2-methylpentanoate
CID 174325893
methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate
CID 134034462
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoate
CID 119950043
methyl 2-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]pentanoate
CID 43431443
methyl 2-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate
CID 112822200
methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate
CID 43431496
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595
N-(1-amino-2-methylpropan-2-yl)-2-(2,6-dichlorophenyl)acetamide
CID 119524754

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate (CID 43423692) is methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate is CCCC(C)(NC(=O)Cc1c(Cl)cccc1Cl)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate?
The InChIKey is FUBNCJPMYRJHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-4-8-15(2,14(20)21-3)18-13(19)9-10-11(16)6-5-7-12(10)17/h5-7H,4,8-9H2,1-3H3,(H,18,19).
What are the key properties of methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate?
methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate has a molecular weight of 332.23 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate is sourced from PubChem (CID 43423692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).