ethyl 3-(4-methylanilino)hexanoate

C15H23NO2 — CID 155464444

IUPACethyl 3-(4-methylanilino)hexanoate
SMILESCCCC(CC(=O)OCC)Nc1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-4-6-14(11-15(17)18-5-2)16-13-9-7-12(3)8-10-13/h7-10,14,16H,4-6,11H2,1-3H3
InChIKeyJCKAYHZTDRASNZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.53
Rot. Bonds7

About ethyl 3-(4-methylanilino)hexanoate

ethyl 3-(4-methylanilino)hexanoate (PubChem CID 155464444) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 3-(4-methylanilino)hexanoate.

Molecular Properties

Compound Nameethyl 3-(4-methylanilino)hexanoate
PubChem CID155464444
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 3-(4-methylanilino)hexanoate
SMILESCCCC(CC(=O)OCC)Nc1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-4-6-14(11-15(17)18-5-2)16-13-9-7-12(3)8-10-13/h7-10,14,16H,4-6,11H2,1-3H3
InChIKeyJCKAYHZTDRASNZ-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-anilinohexanoate
CID 10354056
3-(4-methylanilino)hexanoylcarbamic acid
CID 69428420
ethyl (2S)-3-hydroxy-2-(4-methylanilino)propanoate
CID 167650197
ethyl (3S)-3-anilinopentanoate
CID 101375253
4-methyl-N-octan-4-ylaniline
CID 12779858
ethyl 4-methyl-2-(4-methylanilino)-3-oxopentanoate
CID 150983092
ethyl (2S)-2-(4-methylanilino)-4-methylsulfanylbutanoate
CID 67365394
ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate
CID 82351699
ethyl 3,3-dimethyl-2-(4-methylanilino)pentanoate
CID 162373666
ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
CID 82351703
1-N'-(4-methylphenyl)butane-1,1-diamine
CID 143703381
4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide
CID 66432895

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methylanilino)hexanoate?
The IUPAC name of ethyl 3-(4-methylanilino)hexanoate (CID 155464444) is ethyl 3-(4-methylanilino)hexanoate.
What is the SMILES notation for ethyl 3-(4-methylanilino)hexanoate?
The canonical SMILES for ethyl 3-(4-methylanilino)hexanoate is CCCC(CC(=O)OCC)Nc1ccc(C)cc1.
What is the InChIKey of ethyl 3-(4-methylanilino)hexanoate?
The InChIKey is JCKAYHZTDRASNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-14(11-15(17)18-5-2)16-13-9-7-12(3)8-10-13/h7-10,14,16H,4-6,11H2,1-3H3.
What are the key properties of ethyl 3-(4-methylanilino)hexanoate?
ethyl 3-(4-methylanilino)hexanoate has a molecular weight of 249.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylanilino)hexanoate is sourced from PubChem (CID 155464444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).