2-oxopropyl 3-benzamidobutanoate

C14H17NO4 — CID 46819800

IUPAC2-oxopropyl 3-benzamidobutanoate
SMILESCC(=O)COC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-10(8-13(17)19-9-11(2)16)15-14(18)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyUBKPWWFEAKRWKW-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.33
Rot. Bonds6

About 2-oxopropyl 3-benzamidobutanoate

2-oxopropyl 3-benzamidobutanoate (PubChem CID 46819800) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-oxopropyl 3-benzamidobutanoate.

Molecular Properties

Compound Name2-oxopropyl 3-benzamidobutanoate
PubChem CID46819800
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-oxopropyl 3-benzamidobutanoate
SMILESCC(=O)COC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-10(8-13(17)19-9-11(2)16)15-14(18)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyUBKPWWFEAKRWKW-UHFFFAOYSA-N
XLogP1.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-benzamidobutanoate
CID 10857046
[2-(4-chlorophenyl)-2-oxoethyl] 3-benzamidobutanoate
CID 46819830
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
3,3,3-trichloropropyl 3-benzamidobutanoate
CID 54402612
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
[2-(N-benzylanilino)-2-oxoethyl] 3-benzamidobutanoate
CID 55481805
[2-oxo-2-(4-phenoxyanilino)ethyl] 3-benzamidobutanoate
CID 55379808
N-(4-aminobutan-2-yl)benzamide
CID 62087210
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-benzamidobutanoate
CID 55379961
1,3-benzothiazol-2-ylmethyl 3-benzamidobutanoate
CID 46819687

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 3-benzamidobutanoate?
The IUPAC name of 2-oxopropyl 3-benzamidobutanoate (CID 46819800) is 2-oxopropyl 3-benzamidobutanoate.
What is the SMILES notation for 2-oxopropyl 3-benzamidobutanoate?
The canonical SMILES for 2-oxopropyl 3-benzamidobutanoate is CC(=O)COC(=O)CC(C)NC(=O)c1ccccc1.
What is the InChIKey of 2-oxopropyl 3-benzamidobutanoate?
The InChIKey is UBKPWWFEAKRWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(8-13(17)19-9-11(2)16)15-14(18)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-oxopropyl 3-benzamidobutanoate?
2-oxopropyl 3-benzamidobutanoate has a molecular weight of 263.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 3-benzamidobutanoate is sourced from PubChem (CID 46819800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).