azane;ethyl 2-(dimethylamino)benzoate

C11H18N2O2 — CID 70426390

IUPACazane;ethyl 2-(dimethylamino)benzoate
SMILESCCOC(=O)c1ccccc1N(C)C.N
InChIInChI=1S/C11H15NO2.H3N/c1-4-14-11(13)9-7-5-6-8-10(9)12(2)3;/h5-8H,4H2,1-3H3;1H3
InChIKeyPKSWFXVQVFSTJU-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.09
Rot. Bonds3

About azane;ethyl 2-(dimethylamino)benzoate

azane;ethyl 2-(dimethylamino)benzoate (PubChem CID 70426390) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is azane;ethyl 2-(dimethylamino)benzoate.

Molecular Properties

Compound Nameazane;ethyl 2-(dimethylamino)benzoate
PubChem CID70426390
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameazane;ethyl 2-(dimethylamino)benzoate
SMILESCCOC(=O)c1ccccc1N(C)C.N
InChIInChI=1S/C11H15NO2.H3N/c1-4-14-11(13)9-7-5-6-8-10(9)12(2)3;/h5-8H,4H2,1-3H3;1H3
InChIKeyPKSWFXVQVFSTJU-UHFFFAOYSA-N
XLogP2.09
TPSA64.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze azane;ethyl 2-(dimethylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(dimethylamino)benzoate
CID 58143131
ethyl 2-(dipropoxyamino)benzoate
CID 140996498
ethyl 2-(dimethylamino)benzoate;1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
CID 69041241
ethyl 2-[propan-2-yl(trifluoromethyl)amino]benzoate
CID 71635482
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
ethyl 2-[1-(dimethylamino)ethyl]benzoate
CID 67415343
chloro 2-[ethoxycarbonyl(methyl)amino]benzoate
CID 174373388
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120

Frequently Asked Questions

What is the IUPAC name of azane;ethyl 2-(dimethylamino)benzoate?
The IUPAC name of azane;ethyl 2-(dimethylamino)benzoate (CID 70426390) is azane;ethyl 2-(dimethylamino)benzoate.
What is the SMILES notation for azane;ethyl 2-(dimethylamino)benzoate?
The canonical SMILES for azane;ethyl 2-(dimethylamino)benzoate is CCOC(=O)c1ccccc1N(C)C.N.
What is the InChIKey of azane;ethyl 2-(dimethylamino)benzoate?
The InChIKey is PKSWFXVQVFSTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.H3N/c1-4-14-11(13)9-7-5-6-8-10(9)12(2)3;/h5-8H,4H2,1-3H3;1H3.
What are the key properties of azane;ethyl 2-(dimethylamino)benzoate?
azane;ethyl 2-(dimethylamino)benzoate has a molecular weight of 210.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl 2-(dimethylamino)benzoate is sourced from PubChem (CID 70426390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).