methyl 2-(2-phenylethylcarbamoylamino)benzoate

C17H18N2O3 — CID 3813760

IUPACmethyl 2-(2-phenylethylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NCCc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-22-16(20)14-9-5-6-10-15(14)19-17(21)18-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,18,19,21)
InChIKeyHBFMHGJECMHLNA-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.84
Rot. Bonds5

About methyl 2-(2-phenylethylcarbamoylamino)benzoate

methyl 2-(2-phenylethylcarbamoylamino)benzoate (PubChem CID 3813760) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 2-(2-phenylethylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-phenylethylcarbamoylamino)benzoate
PubChem CID3813760
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethyl 2-(2-phenylethylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NCCc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-22-16(20)14-9-5-6-10-15(14)19-17(21)18-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,18,19,21)
InChIKeyHBFMHGJECMHLNA-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2-methoxycarbonylphenyl)carbamoylamino]ethyl]benzoic acid
CID 170554504
methyl 2-[2-(4-methylphenyl)ethylcarbamoylamino]benzoate
CID 108891044
methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoylamino]benzoate
CID 113217513
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
methyl 2-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985817
methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178238
methyl 2-[[3-[2-(4-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108949851
methyl 2-[[2,2-dimethyl-3-oxo-3-(3-phenylpropylamino)propanoyl]amino]benzoate
CID 108965859
ethyl 2-(2-pyridin-3-ylethylcarbamoylamino)benzoate
CID 4996691
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
CID 23734523
methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate
CID 23963869
methyl 2-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoylamino]benzoate
CID 108874874

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylethylcarbamoylamino)benzoate?
The IUPAC name of methyl 2-(2-phenylethylcarbamoylamino)benzoate (CID 3813760) is methyl 2-(2-phenylethylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 2-(2-phenylethylcarbamoylamino)benzoate?
The canonical SMILES for methyl 2-(2-phenylethylcarbamoylamino)benzoate is COC(=O)c1ccccc1NC(=O)NCCc1ccccc1.
What is the InChIKey of methyl 2-(2-phenylethylcarbamoylamino)benzoate?
The InChIKey is HBFMHGJECMHLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-16(20)14-9-5-6-10-15(14)19-17(21)18-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,18,19,21).
What are the key properties of methyl 2-(2-phenylethylcarbamoylamino)benzoate?
methyl 2-(2-phenylethylcarbamoylamino)benzoate has a molecular weight of 298.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylethylcarbamoylamino)benzoate is sourced from PubChem (CID 3813760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).