[2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate

C25H23N3O5 — CID 3549127

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O5/c26-23(30)18-11-13-20(14-12-18)27-22(29)16-33-25(32)21(15-17-7-3-1-4-8-17)28-24(31)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H2,26,30)(H,27,29)(H,28,31)
InChIKeySFNULSAOVRXFRG-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.31
Rot. Bonds9

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate (PubChem CID 3549127) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
PubChem CID3549127
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O5/c26-23(30)18-11-13-20(14-12-18)27-22(29)16-33-25(32)21(15-17-7-3-1-4-8-17)28-24(31)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H2,26,30)(H,27,29)(H,28,31)
InChIKeySFNULSAOVRXFRG-UHFFFAOYSA-N
XLogP2.31
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate (CID 3549127) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate is NC(=O)c1ccc(NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
The InChIKey is SFNULSAOVRXFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c26-23(30)18-11-13-20(14-12-18)27-22(29)16-33-25(32)21(15-17-7-3-1-4-8-17)28-24(31)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H2,26,30)(H,27,29)(H,28,31).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate has a molecular weight of 445.48 g/mol, XLogP of 2.31, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 3549127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).