methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate

C18H26N2O4 — CID 134033506

IUPACmethyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCC(C)C
InChIInChI=1S/C18H26N2O4/c1-13(2)4-7-17(21)19-16-6-5-14(12-15(16)18(22)23-3)20-8-10-24-11-9-20/h5-6,12-13H,4,7-11H2,1-3H3,(H,19,21)
InChIKeyZFBRPHNEDGNIIF-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.68
Rot. Bonds6

About methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate

methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate (PubChem CID 134033506) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
PubChem CID134033506
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCC(C)C
InChIInChI=1S/C18H26N2O4/c1-13(2)4-7-17(21)19-16-6-5-14(12-15(16)18(22)23-3)20-8-10-24-11-9-20/h5-6,12-13H,4,7-11H2,1-3H3,(H,19,21)
InChIKeyZFBRPHNEDGNIIF-UHFFFAOYSA-N
XLogP2.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate (CID 134033506) is methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCC(C)C.
What is the InChIKey of methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate?
The InChIKey is ZFBRPHNEDGNIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13(2)4-7-17(21)19-16-6-5-14(12-15(16)18(22)23-3)20-8-10-24-11-9-20/h5-6,12-13H,4,7-11H2,1-3H3,(H,19,21).
What are the key properties of methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate?
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate has a molecular weight of 334.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate is sourced from PubChem (CID 134033506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).