methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate

C17H23NO4 — CID 135010384

IUPACmethyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate
SMILESCOC(=O)C(CC(C)=O)(CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C17H23NO4/c1-12(2)10-17(11-13(3)19,16(21)22-4)18-15(20)14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3,(H,18,20)
InChIKeyAEBUHWHCYODCMF-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.35
Rot. Bonds7

About methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate

methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate (PubChem CID 135010384) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate
PubChem CID135010384
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate
SMILESCOC(=O)C(CC(C)=O)(CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C17H23NO4/c1-12(2)10-17(11-13(3)19,16(21)22-4)18-15(20)14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3,(H,18,20)
InChIKeyAEBUHWHCYODCMF-UHFFFAOYSA-N
XLogP2.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[(4-fluorophenyl)carbonylamino]-4-methylpentanoate
CID 2915918
methyl N-benzoylvalylvalinate
CID 2956182
N-benzoylisovaline
CID 11836764
Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate
CID 233989
methyl (2R)-4-methyl-2-[(4-methylbenzoyl)amino]pentanoate
CID 1526567
methyl (2R)-4-methyl-2-[(3-methylbenzoyl)amino]pentanoate
CID 37992869
methyl (2R)-2-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoate
CID 51681562
methyl (2R)-4-methyl-2-[(4-propylbenzoyl)amino]pentanoate
CID 57527956
methyl (2R)-2-[(4-ethenylbenzoyl)amino]-4-methylpentanoate
CID 57527962
Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate
CID 9868251
Diethyl 2-phenacyl-2-(propanoylamino)propanedioate
CID 10861030
Diethyl 2-(butanoylamino)-2-phenacylpropanedioate
CID 10882996

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate?
The IUPAC name of methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate (CID 135010384) is methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate.
What is the SMILES notation for methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate?
The canonical SMILES for methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate is COC(=O)C(CC(C)=O)(CC(C)C)NC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate?
The InChIKey is AEBUHWHCYODCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(2)10-17(11-13(3)19,16(21)22-4)18-15(20)14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3,(H,18,20).
What are the key properties of methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate?
methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate has a molecular weight of 305.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-2-(2-methylpropyl)-4-oxopentanoate is sourced from PubChem (CID 135010384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).