benzyl 3-benzamido-4-oxopentanoate

C19H19NO4 — CID 19261358

IUPACbenzyl 3-benzamido-4-oxopentanoate
SMILESCC(=O)C(CC(=O)OCc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-14(21)17(20-19(23)16-10-6-3-7-11-16)12-18(22)24-13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H,20,23)
InChIKeyAXGNVVHEXFOKGD-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.51
Rot. Bonds7

About benzyl 3-benzamido-4-oxopentanoate

benzyl 3-benzamido-4-oxopentanoate (PubChem CID 19261358) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is benzyl 3-benzamido-4-oxopentanoate.

Molecular Properties

Compound Namebenzyl 3-benzamido-4-oxopentanoate
PubChem CID19261358
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namebenzyl 3-benzamido-4-oxopentanoate
SMILESCC(=O)C(CC(=O)OCc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-14(21)17(20-19(23)16-10-6-3-7-11-16)12-18(22)24-13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H,20,23)
InChIKeyAXGNVVHEXFOKGD-UHFFFAOYSA-N
XLogP2.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dibenzyl (2S)-2-benzamidobutanedioate
CID 14420333
benzyl 4-amino-2-benzamido-4-oxobutanoate
CID 14420399
benzyl 3-(cyclohexanecarbonylamino)-4-oxopentanoate
CID 10882117
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
(2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium
CID 59408791
benzyl (2S)-2-benzamido-3-methylbutanoate
CID 689908
4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoate
CID 53448599
benzyl 2-benzamidoacetate;ethane
CID 142836612
2-benzamido-4-methoxy-4-oxobutanoic acid;ethane
CID 142855999
N-[(2R)-1-oxo-3-phenyl-1-(phenylmethoxyamino)propan-2-yl]benzamide
CID 9227321
benzyl 2-benzamido-3-hydroxybutanoate
CID 14420261
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287

Frequently Asked Questions

What is the IUPAC name of benzyl 3-benzamido-4-oxopentanoate?
The IUPAC name of benzyl 3-benzamido-4-oxopentanoate (CID 19261358) is benzyl 3-benzamido-4-oxopentanoate.
What is the SMILES notation for benzyl 3-benzamido-4-oxopentanoate?
The canonical SMILES for benzyl 3-benzamido-4-oxopentanoate is CC(=O)C(CC(=O)OCc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of benzyl 3-benzamido-4-oxopentanoate?
The InChIKey is AXGNVVHEXFOKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-14(21)17(20-19(23)16-10-6-3-7-11-16)12-18(22)24-13-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H,20,23).
What are the key properties of benzyl 3-benzamido-4-oxopentanoate?
benzyl 3-benzamido-4-oxopentanoate has a molecular weight of 325.36 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-benzamido-4-oxopentanoate is sourced from PubChem (CID 19261358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).