azane;(2,3,4-trimethylphenyl)methyl benzoate

C17H21NO2 — CID 67826555

IUPACazane;(2,3,4-trimethylphenyl)methyl benzoate
SMILESCc1ccc(COC(=O)c2ccccc2)c(C)c1C.N
InChIInChI=1S/C17H18O2.H3N/c1-12-9-10-16(14(3)13(12)2)11-19-17(18)15-7-5-4-6-8-15;/h4-10H,11H2,1-3H3;1H3
InChIKeyDIHQMWPPZKLOBD-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.13
Rot. Bonds3

About azane;(2,3,4-trimethylphenyl)methyl benzoate

azane;(2,3,4-trimethylphenyl)methyl benzoate (PubChem CID 67826555) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is azane;(2,3,4-trimethylphenyl)methyl benzoate.

Molecular Properties

Compound Nameazane;(2,3,4-trimethylphenyl)methyl benzoate
PubChem CID67826555
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Nameazane;(2,3,4-trimethylphenyl)methyl benzoate
SMILESCc1ccc(COC(=O)c2ccccc2)c(C)c1C.N
InChIInChI=1S/C17H18O2.H3N/c1-12-9-10-16(14(3)13(12)2)11-19-17(18)15-7-5-4-6-8-15;/h4-10H,11H2,1-3H3;1H3
InChIKeyDIHQMWPPZKLOBD-UHFFFAOYSA-N
XLogP4.13
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;(2,3,4-trimethylphenyl)methyl benzoate?
The IUPAC name of azane;(2,3,4-trimethylphenyl)methyl benzoate (CID 67826555) is azane;(2,3,4-trimethylphenyl)methyl benzoate.
What is the SMILES notation for azane;(2,3,4-trimethylphenyl)methyl benzoate?
The canonical SMILES for azane;(2,3,4-trimethylphenyl)methyl benzoate is Cc1ccc(COC(=O)c2ccccc2)c(C)c1C.N.
What is the InChIKey of azane;(2,3,4-trimethylphenyl)methyl benzoate?
The InChIKey is DIHQMWPPZKLOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2.H3N/c1-12-9-10-16(14(3)13(12)2)11-19-17(18)15-7-5-4-6-8-15;/h4-10H,11H2,1-3H3;1H3.
What are the key properties of azane;(2,3,4-trimethylphenyl)methyl benzoate?
azane;(2,3,4-trimethylphenyl)methyl benzoate has a molecular weight of 271.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2,3,4-trimethylphenyl)methyl benzoate is sourced from PubChem (CID 67826555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).