methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate

C17H18N2O3 — CID 17393629

IUPACmethyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
SMILESCNC(=O)c1cccc(NC(C(=O)OC)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3/c1-18-16(20)13-9-6-10-14(11-13)19-15(17(21)22-2)12-7-4-3-5-8-12/h3-11,15,19H,1-2H3,(H,18,20)
InChIKeyCBHAOQIQWRIOGR-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.37
Rot. Bonds5

About methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate

methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate (PubChem CID 17393629) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
PubChem CID17393629
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
SMILESCNC(=O)c1cccc(NC(C(=O)OC)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3/c1-18-16(20)13-9-6-10-14(11-13)19-15(17(21)22-2)12-7-4-3-5-8-12/h3-11,15,19H,1-2H3,(H,18,20)
InChIKeyCBHAOQIQWRIOGR-UHFFFAOYSA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
CID 43767557
3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide
CID 18086382
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
CID 40541065
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
methyl 2-anilino-2-(3-iodophenyl)acetate
CID 114283019
methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate
CID 60609882
methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
CID 62109863
3-(1-phenylethylamino)-N-propan-2-ylbenzamide
CID 43693971
methyl 2-[3-(azidomethyl)anilino]-2-phenylacetate
CID 86757685
3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
CID 43202783
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007695

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate?
The IUPAC name of methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate (CID 17393629) is methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate?
The canonical SMILES for methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate is CNC(=O)c1cccc(NC(C(=O)OC)c2ccccc2)c1.
What is the InChIKey of methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate?
The InChIKey is CBHAOQIQWRIOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-18-16(20)13-9-6-10-14(11-13)19-15(17(21)22-2)12-7-4-3-5-8-12/h3-11,15,19H,1-2H3,(H,18,20).
What are the key properties of methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate?
methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate has a molecular weight of 298.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate is sourced from PubChem (CID 17393629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).