2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate

C16H26N2O2 — CID 134843847

IUPAC2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate
SMILESCCCCN(C)c1ccc(C(=O)OCCN(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-6-11-18(4)15-9-7-14(8-10-15)16(19)20-13-12-17(2)3/h7-10H,5-6,11-13H2,1-4H3
InChIKeyZVBOFSPGJUZDMS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.64
Rot. Bonds8

About 2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate

2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate (PubChem CID 134843847) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate
PubChem CID134843847
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate
SMILESCCCCN(C)c1ccc(C(=O)OCCN(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-6-11-18(4)15-9-7-14(8-10-15)16(19)20-13-12-17(2)3/h7-10H,5-6,11-13H2,1-4H3
InChIKeyZVBOFSPGJUZDMS-UHFFFAOYSA-N
XLogP2.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 139769099
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1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
2-(N-methylanilino)ethyl 4-propanoylbenzoate
CID 59444962
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
bis[4-[methyl(tetradecyl)amino]butyl] benzene-1,4-dicarboxylate
CID 139952651
bis[3-[hexadecyl(methyl)amino]propyl] benzene-1,4-dicarboxylate
CID 139953179
ethyl 4-[2-bromoethyl(methyl)amino]benzoate
CID 57062297
2-[4-(dibutylamino)benzoyl]oxyethanesulfonic acid
CID 129061799
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate?
The IUPAC name of 2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate (CID 134843847) is 2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate is CCCCN(C)c1ccc(C(=O)OCCN(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate?
The InChIKey is ZVBOFSPGJUZDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-6-11-18(4)15-9-7-14(8-10-15)16(19)20-13-12-17(2)3/h7-10H,5-6,11-13H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate?
2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate has a molecular weight of 278.40 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate is sourced from PubChem (CID 134843847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).