11-(methylamino)undecyl benzoate

C19H31NO2 — CID 177292547

IUPAC11-(methylamino)undecyl benzoate
SMILESCNCCCCCCCCCCCOC(=O)c1ccccc1
InChIInChI=1S/C19H31NO2/c1-20-16-12-7-5-3-2-4-6-8-13-17-22-19(21)18-14-10-9-11-15-18/h9-11,14-15,20H,2-8,12-13,16-17H2,1H3
InChIKeyHZHAUZBRBJVRFY-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.57
Rot. Bonds13

About 11-(methylamino)undecyl benzoate

11-(methylamino)undecyl benzoate (PubChem CID 177292547) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 11-(methylamino)undecyl benzoate.

Molecular Properties

Compound Name11-(methylamino)undecyl benzoate
PubChem CID177292547
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name11-(methylamino)undecyl benzoate
SMILESCNCCCCCCCCCCCOC(=O)c1ccccc1
InChIInChI=1S/C19H31NO2/c1-20-16-12-7-5-3-2-4-6-8-13-17-22-19(21)18-14-10-9-11-15-18/h9-11,14-15,20H,2-8,12-13,16-17H2,1H3
InChIKeyHZHAUZBRBJVRFY-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)ethyl benzoate
CID 158644589
butyl benzoate;hexyl benzoate
CID 22163024
5-[4-(5-benzoyloxypentoxy)phenoxy]pentyl benzoate
CID 139725792
hexyl benzoate
CID 23235
(111C)butyl benzoate
CID 11994383
14-methylpentadecyl benzoate
CID 141181298
CID 172820816
CID 172820816
CID 162308343
CID 162308343
butyl benzoate;dihydrochloride
CID 141031125
butyl benzoate;methane
CID 174523775
potassium;hexadecyl benzoate;hydride
CID 174392583
4-(2-phenylethylamino)butyl benzoate
CID 70832782

Frequently Asked Questions

What is the IUPAC name of 11-(methylamino)undecyl benzoate?
The IUPAC name of 11-(methylamino)undecyl benzoate (CID 177292547) is 11-(methylamino)undecyl benzoate.
What is the SMILES notation for 11-(methylamino)undecyl benzoate?
The canonical SMILES for 11-(methylamino)undecyl benzoate is CNCCCCCCCCCCCOC(=O)c1ccccc1.
What is the InChIKey of 11-(methylamino)undecyl benzoate?
The InChIKey is HZHAUZBRBJVRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-20-16-12-7-5-3-2-4-6-8-13-17-22-19(21)18-14-10-9-11-15-18/h9-11,14-15,20H,2-8,12-13,16-17H2,1H3.
What are the key properties of 11-(methylamino)undecyl benzoate?
11-(methylamino)undecyl benzoate has a molecular weight of 305.46 g/mol, XLogP of 4.57, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(methylamino)undecyl benzoate is sourced from PubChem (CID 177292547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).