2-ethylhexyl 3-(2-methylanilino)propanoate

C18H29NO2 — CID 15918765

IUPAC2-ethylhexyl 3-(2-methylanilino)propanoate
SMILESCCCCC(CC)COC(=O)CCNc1ccccc1C
InChIInChI=1S/C18H29NO2/c1-4-6-10-16(5-2)14-21-18(20)12-13-19-17-11-8-7-9-15(17)3/h7-9,11,16,19H,4-6,10,12-14H2,1-3H3
InChIKeyINIRNPJDZCMDKV-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.56
Rot. Bonds10

About 2-ethylhexyl 3-(2-methylanilino)propanoate

2-ethylhexyl 3-(2-methylanilino)propanoate (PubChem CID 15918765) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-ethylhexyl 3-(2-methylanilino)propanoate.

Molecular Properties

Compound Name2-ethylhexyl 3-(2-methylanilino)propanoate
PubChem CID15918765
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-ethylhexyl 3-(2-methylanilino)propanoate
SMILESCCCCC(CC)COC(=O)CCNc1ccccc1C
InChIInChI=1S/C18H29NO2/c1-4-6-10-16(5-2)14-21-18(20)12-13-19-17-11-8-7-9-15(17)3/h7-9,11,16,19H,4-6,10,12-14H2,1-3H3
InChIKeyINIRNPJDZCMDKV-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-ethylhexyl) 2-benzylhexanedioate
CID 140633299
bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
bis(2-ethylhexyl) nonanedioate
CID 7642
2-ethylhexyl N-naphthalen-1-ylcarbamate
CID 15066270
(2S,7S)-7-ethyl-N-(2-methylphenyl)-2-pentylundecanamide
CID 92692901
10-O-(2-ethylhexyl) 1-O-(2-phenylethyl) decanedioate
CID 118967604
2-ethylhexyl 4-methylpentanoate
CID 134988368
[(2R)-2-ethylhexyl] 3-sulfanylpropanoate
CID 76958586
2-ethylhexyl 3-(prop-2-enoylamino)propanoate
CID 170269471
2-[2-(2-methylanilino)ethoxy]ethyl butanoate
CID 102065090
2-ethylhexyl 12-(2-hydroxyphenyl)octadecanoate
CID 101311418
2-ethylhexyl 11-(2-hydroxyphenyl)octadecanoate
CID 101311417

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-(2-methylanilino)propanoate?
The IUPAC name of 2-ethylhexyl 3-(2-methylanilino)propanoate (CID 15918765) is 2-ethylhexyl 3-(2-methylanilino)propanoate.
What is the SMILES notation for 2-ethylhexyl 3-(2-methylanilino)propanoate?
The canonical SMILES for 2-ethylhexyl 3-(2-methylanilino)propanoate is CCCCC(CC)COC(=O)CCNc1ccccc1C.
What is the InChIKey of 2-ethylhexyl 3-(2-methylanilino)propanoate?
The InChIKey is INIRNPJDZCMDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-6-10-16(5-2)14-21-18(20)12-13-19-17-11-8-7-9-15(17)3/h7-9,11,16,19H,4-6,10,12-14H2,1-3H3.
What are the key properties of 2-ethylhexyl 3-(2-methylanilino)propanoate?
2-ethylhexyl 3-(2-methylanilino)propanoate has a molecular weight of 291.44 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-(2-methylanilino)propanoate is sourced from PubChem (CID 15918765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).