methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate

C18H20N2O3 — CID 23734523

IUPACmethyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N(C)CCc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-20(13-12-14-8-4-3-5-9-14)18(22)19-16-11-7-6-10-15(16)17(21)23-2/h3-11H,12-13H2,1-2H3,(H,19,22)
InChIKeyPSZRLOKQXFCCOW-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.18
Rot. Bonds5

About methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate

methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate (PubChem CID 23734523) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
PubChem CID23734523
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N(C)CCc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-20(13-12-14-8-4-3-5-9-14)18(22)19-16-11-7-6-10-15(16)17(21)23-2/h3-11H,12-13H2,1-2H3,(H,19,22)
InChIKeyPSZRLOKQXFCCOW-UHFFFAOYSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916667
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CID 3813760
methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate
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ethyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 108990838
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CID 109023113
methyl 4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzoate
CID 47039832
2-[[2-(2-hydroxyphenyl)ethyl-methylcarbamothioyl]amino]benzoic acid;methyl 2-[[2-(2-hydroxyphenyl)ethyl-methylcarbamothioyl]amino]benzoate
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3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate?
The IUPAC name of methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate (CID 23734523) is methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)N(C)CCc1ccccc1.
What is the InChIKey of methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate?
The InChIKey is PSZRLOKQXFCCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-20(13-12-14-8-4-3-5-9-14)18(22)19-16-11-7-6-10-15(16)17(21)23-2/h3-11H,12-13H2,1-2H3,(H,19,22).
What are the key properties of methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate?
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate has a molecular weight of 312.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate is sourced from PubChem (CID 23734523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).