(2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate

C19H15N3O5 — CID 7808266

IUPAC(2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate
SMILESN#CCC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H15N3O5/c20-11-10-16(23)21-15-8-6-14(7-9-15)19(26)27-12-17(24)22-18(25)13-4-2-1-3-5-13/h1-9H,10,12H2,(H,21,23)(H,22,24,25)
InChIKeyZUQNXEXCTPUYNQ-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.65
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate

(2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate (PubChem CID 7808266) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate
PubChem CID7808266
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name(2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate
SMILESN#CCC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H15N3O5/c20-11-10-16(23)21-15-8-6-14(7-9-15)19(26)27-12-17(24)22-18(25)13-4-2-1-3-5-13/h1-9H,10,12H2,(H,21,23)(H,22,24,25)
InChIKeyZUQNXEXCTPUYNQ-UHFFFAOYSA-N
XLogP1.65
TPSA125.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 8902545
(2-benzamido-2-oxoethyl) 4-acetamidobenzoate
CID 7949820
[2-(4-cyanoanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548822
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808357
[2-(4-cyanoanilino)-2-oxoethyl] benzoate
CID 2517291
[2-(2-methylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548765
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548621
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
[2-(2-methylpropylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2450511
2-hydroxyethyl 4-[(2-cyanoacetyl)amino]benzoate
CID 32697295
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 8663056

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate (CID 7808266) is (2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate is N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate?
The InChIKey is ZUQNXEXCTPUYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c20-11-10-16(23)21-15-8-6-14(7-9-15)19(26)27-12-17(24)22-18(25)13-4-2-1-3-5-13/h1-9H,10,12H2,(H,21,23)(H,22,24,25).
What are the key properties of (2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate?
(2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate has a molecular weight of 365.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 4-[(2-cyanoacetyl)amino]benzoate is sourced from PubChem (CID 7808266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).