[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate

C19H20N2O4 — CID 9015181

IUPAC[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C19H20N2O4/c1-2-18(23)25-13-17(22)21-16-11-7-6-10-15(16)19(24)20-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,24)(H,21,22)
InChIKeyUIQFXNJEVYHURI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.51
Rot. Bonds7

About [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate

[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate (PubChem CID 9015181) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate
PubChem CID9015181
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C19H20N2O4/c1-2-18(23)25-13-17(22)21-16-11-7-6-10-15(16)19(24)20-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,24)(H,21,22)
InChIKeyUIQFXNJEVYHURI-UHFFFAOYSA-N
XLogP2.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate
CID 9015149
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
N-[(4-chlorophenyl)methyl]-2-(propanoylamino)benzamide
CID 22137650
N-benzyl-2-[2-(2-ethoxyanilino)-2-oxoethoxy]benzamide
CID 7981661
propyl 4-[[2-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate
CID 4933629
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119679545
N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119679544
ethyl (3S)-1-[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8561989
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
N-benzyl-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 92646177

Frequently Asked Questions

What is the IUPAC name of [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate?
The IUPAC name of [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate (CID 9015181) is [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate.
What is the SMILES notation for [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate?
The canonical SMILES for [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate is CCC(=O)OCC(=O)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate?
The InChIKey is UIQFXNJEVYHURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-18(23)25-13-17(22)21-16-11-7-6-10-15(16)19(24)20-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,24)(H,21,22).
What are the key properties of [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate?
[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate has a molecular weight of 340.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate is sourced from PubChem (CID 9015181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).