ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate

C16H25NO2 — CID 70850620

IUPACethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(CC)C(C)(C)CC)cc1
InChIInChI=1S/C16H25NO2/c1-6-16(4,5)17(7-2)14-11-9-13(10-12-14)15(18)19-8-3/h9-12H,6-8H2,1-5H3
InChIKeyYOTGYZRQXILSGN-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.88
Rot. Bonds6

About ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate

ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate (PubChem CID 70850620) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate
PubChem CID70850620
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(CC)C(C)(C)CC)cc1
InChIInChI=1S/C16H25NO2/c1-6-16(4,5)17(7-2)14-11-9-13(10-12-14)15(18)19-8-3/h9-12H,6-8H2,1-5H3
InChIKeyYOTGYZRQXILSGN-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[ethyl(2-methylbutan-2-yl)amino]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

ethyl 4-(diethoxyamino)benzoate
CID 22239273
ethyl 4-[(2-bromo-2-methylpropanoyl)-methylamino]benzoate
CID 101065889
ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate
CID 146802367
ethyl 4-[2-hydroxypropyl(methyl)amino]benzoate
CID 101131905
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(N-aminoanilino)benzoate
CID 15629747
ethane;ethyl 4-[methyl(propanoyl)amino]benzoate
CID 143419457
ethyl 4-(1,1-dihydroxypropyl)benzoate
CID 23448643
ethyl 4-aminobenzoate
CID 2337
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
CID 14669998

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate?
The IUPAC name of ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate (CID 70850620) is ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate is CCOC(=O)c1ccc(N(CC)C(C)(C)CC)cc1.
What is the InChIKey of ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate?
The InChIKey is YOTGYZRQXILSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-16(4,5)17(7-2)14-11-9-13(10-12-14)15(18)19-8-3/h9-12H,6-8H2,1-5H3.
What are the key properties of ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate?
ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate has a molecular weight of 263.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl(2-methylbutan-2-yl)amino]benzoate is sourced from PubChem (CID 70850620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).