[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate

C19H19N3O5 — CID 2594012

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H19N3O5/c1-12(21-18(25)14-5-3-2-4-6-14)19(26)27-11-16(23)22-15-9-7-13(8-10-15)17(20)24/h2-10,12H,11H2,1H3,(H2,20,24)(H,21,25)(H,22,23)/t12-/m0/s1
InChIKeyAFBWZABLHSYIOD-LBPRGKRZSA-N
MW369.38 g/mol
LogP1.09
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate

[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate (PubChem CID 2594012) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
PubChem CID2594012
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H19N3O5/c1-12(21-18(25)14-5-3-2-4-6-14)19(26)27-11-16(23)22-15-9-7-13(8-10-15)17(20)24/h2-10,12H,11H2,1H3,(H2,20,24)(H,21,25)(H,22,23)/t12-/m0/s1
InChIKeyAFBWZABLHSYIOD-LBPRGKRZSA-N
XLogP1.09
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-bromoanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593861
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 7571920
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8939992
[2-(4-carbamoylanilino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617290
[2-(4-fluoroanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563182
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887651
[2-(3-methylanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884724
[2-(2-carbamoylanilino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563374
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593799
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2353550
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamidopropanoate
CID 55305715

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate (CID 2594012) is [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate is C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The InChIKey is AFBWZABLHSYIOD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-12(21-18(25)14-5-3-2-4-6-14)19(26)27-11-16(23)22-15-9-7-13(8-10-15)17(20)24/h2-10,12H,11H2,1H3,(H2,20,24)(H,21,25)(H,22,23)/t12-/m0/s1.
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate?
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate has a molecular weight of 369.38 g/mol, XLogP of 1.09, 7 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] (2S)-2-benzamidopropanoate is sourced from PubChem (CID 2594012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).