propyl 3-[2-(dimethylamino)ethylamino]benzoate

C14H22N2O2 — CID 82096552

IUPACpropyl 3-[2-(dimethylamino)ethylamino]benzoate
SMILESCCCOC(=O)c1cccc(NCCN(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-4-10-18-14(17)12-6-5-7-13(11-12)15-8-9-16(2)3/h5-7,11,15H,4,8-10H2,1-3H3
InChIKeyYHVCOFMXOJCTSX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.23
Rot. Bonds7

About propyl 3-[2-(dimethylamino)ethylamino]benzoate

propyl 3-[2-(dimethylamino)ethylamino]benzoate (PubChem CID 82096552) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is propyl 3-[2-(dimethylamino)ethylamino]benzoate.

Molecular Properties

Compound Namepropyl 3-[2-(dimethylamino)ethylamino]benzoate
PubChem CID82096552
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namepropyl 3-[2-(dimethylamino)ethylamino]benzoate
SMILESCCCOC(=O)c1cccc(NCCN(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-4-10-18-14(17)12-6-5-7-13(11-12)15-8-9-16(2)3/h5-7,11,15H,4,8-10H2,1-3H3
InChIKeyYHVCOFMXOJCTSX-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 3-[2-(dimethylamino)ethylamino]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

butyl 3-[2-(dimethylamino)ethylamino]benzoate
CID 82096521
butyl 3-(3-hydroxypropylamino)benzoate
CID 82096520
butyl 3-(4-aminobutylamino)benzoate
CID 117097372
propyl 3-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19171675
2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride
CID 2912299
bis[3-(dimethylamino)propyl] benzene-1,3-dicarboxylate
CID 139953071
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785
propyl 3-(methylcarbamothioylamino)benzoate
CID 2185770
2-(dimethylamino)ethyl 3-ethylbenzoate
CID 70999207
3-O-propanoyl 1-O-propyl benzene-1,3-dicarboxylate
CID 175115088
propyl 3-[[4-(2-oxo-2-phenylacetyl)benzoyl]amino]benzoate
CID 2787450
propyl 3-(2-aminoethylsulfamoylamino)benzoate
CID 84761012

Frequently Asked Questions

What is the IUPAC name of propyl 3-[2-(dimethylamino)ethylamino]benzoate?
The IUPAC name of propyl 3-[2-(dimethylamino)ethylamino]benzoate (CID 82096552) is propyl 3-[2-(dimethylamino)ethylamino]benzoate.
What is the SMILES notation for propyl 3-[2-(dimethylamino)ethylamino]benzoate?
The canonical SMILES for propyl 3-[2-(dimethylamino)ethylamino]benzoate is CCCOC(=O)c1cccc(NCCN(C)C)c1.
What is the InChIKey of propyl 3-[2-(dimethylamino)ethylamino]benzoate?
The InChIKey is YHVCOFMXOJCTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10-18-14(17)12-6-5-7-13(11-12)15-8-9-16(2)3/h5-7,11,15H,4,8-10H2,1-3H3.
What are the key properties of propyl 3-[2-(dimethylamino)ethylamino]benzoate?
propyl 3-[2-(dimethylamino)ethylamino]benzoate has a molecular weight of 250.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[2-(dimethylamino)ethylamino]benzoate is sourced from PubChem (CID 82096552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).