[methyl(propyl)amino] benzoate

C11H15NO2 — CID 87875558

IUPAC[methyl(propyl)amino] benzoate
SMILESCCCN(C)OC(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-3-9-12(2)14-11(13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyUKZBHIIXUHFGPX-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.10
Rot. Bonds4

About [methyl(propyl)amino] benzoate

[methyl(propyl)amino] benzoate (PubChem CID 87875558) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is [methyl(propyl)amino] benzoate.

Molecular Properties

Compound Name[methyl(propyl)amino] benzoate
PubChem CID87875558
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[methyl(propyl)amino] benzoate
SMILESCCCN(C)OC(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-3-9-12(2)14-11(13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyUKZBHIIXUHFGPX-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[ethoxycarbonyl(propyl)amino] benzoate
CID 91465918
[acetyl(butyl)amino] benzoate
CID 152981173
[butyl(propan-2-yl)amino] benzoate
CID 163908227
benzoyl benzoate;N,N-dimethylethanamine
CID 174532013
benzenecarboperoxoic acid;propane
CID 87106834
methyl benzoate;pentane
CID 142510193
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
CID 158970570
CID 158970570
(111C)butyl benzoate
CID 11994383
[(5-amino-5-oxopentanoyl)-methylamino] benzoate
CID 122661865
[[1-ethoxy-2-oxo-2-(4-propylphenyl)ethyl]-methylamino] benzoate
CID 150410870
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382

Frequently Asked Questions

What is the IUPAC name of [methyl(propyl)amino] benzoate?
The IUPAC name of [methyl(propyl)amino] benzoate (CID 87875558) is [methyl(propyl)amino] benzoate.
What is the SMILES notation for [methyl(propyl)amino] benzoate?
The canonical SMILES for [methyl(propyl)amino] benzoate is CCCN(C)OC(=O)c1ccccc1.
What is the InChIKey of [methyl(propyl)amino] benzoate?
The InChIKey is UKZBHIIXUHFGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-9-12(2)14-11(13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of [methyl(propyl)amino] benzoate?
[methyl(propyl)amino] benzoate has a molecular weight of 193.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(propyl)amino] benzoate is sourced from PubChem (CID 87875558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).