[2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate

C20H28N2O4 — CID 2510258

IUPAC[2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
SMILESCCCNC(=O)COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C20H28N2O4/c1-3-13-21-18(23)14-26-20(25)17-12-8-7-11-16(17)19(24)22(2)15-9-5-4-6-10-15/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3,(H,21,23)
InChIKeyCMOYRQWQCXXTPW-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.77
Rot. Bonds7

About [2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate

[2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate (PubChem CID 2510258) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
PubChem CID2510258
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
SMILESCCCNC(=O)COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C20H28N2O4/c1-3-13-21-18(23)14-26-20(25)17-12-8-7-11-16(17)19(24)22(2)15-9-5-4-6-10-15/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3,(H,21,23)
InChIKeyCMOYRQWQCXXTPW-UHFFFAOYSA-N
XLogP2.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate (CID 2510258) is [2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate is CCCNC(=O)COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate?
The InChIKey is CMOYRQWQCXXTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-3-13-21-18(23)14-26-20(25)17-12-8-7-11-16(17)19(24)22(2)15-9-5-4-6-10-15/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3,(H,21,23).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate?
[2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate has a molecular weight of 360.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate is sourced from PubChem (CID 2510258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).