methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate

C16H25NO2 — CID 115233508

IUPACmethyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate
SMILESCCc1ccc(CCN(C)CCCC(=O)OC)cc1
InChIInChI=1S/C16H25NO2/c1-4-14-7-9-15(10-8-14)11-13-17(2)12-5-6-16(18)19-3/h7-10H,4-6,11-13H2,1-3H3
InChIKeyRWZMQKUHCDCGKY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.68
Rot. Bonds8

About methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate

methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate (PubChem CID 115233508) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate
PubChem CID115233508
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate
SMILESCCc1ccc(CCN(C)CCCC(=O)OC)cc1
InChIInChI=1S/C16H25NO2/c1-4-14-7-9-15(10-8-14)11-13-17(2)12-5-6-16(18)19-3/h7-10H,4-6,11-13H2,1-3H3
InChIKeyRWZMQKUHCDCGKY-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate 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

methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
CID 60648146
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid
CID 115219149
methyl 4-[methyl-[2-(3-methylphenyl)ethyl]amino]butanoate
CID 115233522
methyl 4-[(4-bromophenyl)methyl-methylamino]butanoate
CID 61415832
methyl 4-[(4-aminophenyl)methyl-methylamino]butanoate
CID 43458294
methyl 4-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]butanoate
CID 103013993
methyl 3-[2-(3,4-difluorophenyl)ethyl-methylamino]propanoate
CID 115232572
methyl 4-[2-(5-bromothiophen-2-yl)ethyl-methylamino]butanoate
CID 115233515
3-[(4-methoxy-4-oxobutyl)-methylamino]propanoic acid;hydrochloride
CID 170901625
methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate
CID 157418406
methyl 3-[4-[2-[dodecyl(methyl)amino]ethoxy]phenyl]propanoate
CID 22949959

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate?
The IUPAC name of methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate (CID 115233508) is methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate.
What is the SMILES notation for methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate?
The canonical SMILES for methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate is CCc1ccc(CCN(C)CCCC(=O)OC)cc1.
What is the InChIKey of methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate?
The InChIKey is RWZMQKUHCDCGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-14-7-9-15(10-8-14)11-13-17(2)12-5-6-16(18)19-3/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate?
methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate has a molecular weight of 263.38 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate is sourced from PubChem (CID 115233508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).