methyl 2-benzamido-2,4-dimethylpentanoate

C15H21NO3 — CID 102407674

IUPACmethyl 2-benzamido-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)(CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)10-15(3,14(18)19-4)16-13(17)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,17)
InChIKeyZASDPFWOCXWPLA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.39
Rot. Bonds5

About methyl 2-benzamido-2,4-dimethylpentanoate

methyl 2-benzamido-2,4-dimethylpentanoate (PubChem CID 102407674) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-benzamido-2,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 2-benzamido-2,4-dimethylpentanoate
PubChem CID102407674
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-benzamido-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)(CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)10-15(3,14(18)19-4)16-13(17)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,17)
InChIKeyZASDPFWOCXWPLA-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-2,4-dimethylpentanoate?
The IUPAC name of methyl 2-benzamido-2,4-dimethylpentanoate (CID 102407674) is methyl 2-benzamido-2,4-dimethylpentanoate.
What is the SMILES notation for methyl 2-benzamido-2,4-dimethylpentanoate?
The canonical SMILES for methyl 2-benzamido-2,4-dimethylpentanoate is COC(=O)C(C)(CC(C)C)NC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzamido-2,4-dimethylpentanoate?
The InChIKey is ZASDPFWOCXWPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)10-15(3,14(18)19-4)16-13(17)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-benzamido-2,4-dimethylpentanoate?
methyl 2-benzamido-2,4-dimethylpentanoate has a molecular weight of 263.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-2,4-dimethylpentanoate is sourced from PubChem (CID 102407674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).