[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

C18H18N2O5 — CID 9007695

IUPAC[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O5/c1-19-17(23)13-8-5-9-14(10-13)20-15(21)11-25-18(24)16(22)12-6-3-2-4-7-12/h2-10,16,22H,11H2,1H3,(H,19,23)(H,20,21)/t16-/m0/s1
InChIKeyCGKIGWMYHXGWOL-INIZCTEOSA-N
MW342.35 g/mol
LogP1.26
Rot. Bonds6

About [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (PubChem CID 9007695) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
PubChem CID9007695
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O5/c1-19-17(23)13-8-5-9-14(10-13)20-15(21)11-25-18(24)16(22)12-6-3-2-4-7-12/h2-10,16,22H,11H2,1H3,(H,19,23)(H,20,21)/t16-/m0/s1
InChIKeyCGKIGWMYHXGWOL-INIZCTEOSA-N
XLogP1.26
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate 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-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007692
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007671
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 9229993
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834231
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 35051099
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
CID 17396359
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate
CID 18102829
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate
CID 18141034
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-hydroxy-2-phenylacetate
CID 16798756

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (CID 9007695) is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is CNC(=O)c1cccc(NC(=O)COC(=O)[C@@H](O)c2ccccc2)c1.
What is the InChIKey of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is CGKIGWMYHXGWOL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-19-17(23)13-8-5-9-14(10-13)20-15(21)11-25-18(24)16(22)12-6-3-2-4-7-12/h2-10,16,22H,11H2,1H3,(H,19,23)(H,20,21)/t16-/m0/s1.
What are the key properties of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 342.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 9007695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).