ethyl 3-anilinohexanoate

C14H21NO2 — CID 10354056

IUPACethyl 3-anilinohexanoate
SMILESCCCC(CC(=O)OCC)Nc1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-8-13(11-14(16)17-4-2)15-12-9-6-5-7-10-12/h5-7,9-10,13,15H,3-4,8,11H2,1-2H3
InChIKeyORASNKGRRVCCAC-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.22
Rot. Bonds7

About ethyl 3-anilinohexanoate

ethyl 3-anilinohexanoate (PubChem CID 10354056) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 3-anilinohexanoate.

Molecular Properties

Compound Nameethyl 3-anilinohexanoate
PubChem CID10354056
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 3-anilinohexanoate
SMILESCCCC(CC(=O)OCC)Nc1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-8-13(11-14(16)17-4-2)15-12-9-6-5-7-10-12/h5-7,9-10,13,15H,3-4,8,11H2,1-2H3
InChIKeyORASNKGRRVCCAC-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-methylanilino)hexanoate
CID 155464444
ethyl (3S)-3-anilinopentanoate
CID 101375253
(2R)-2-anilino-4-ethoxy-4-oxobutanoic acid
CID 70072361
diethyl 2-anilinopentanedioate
CID 138963632
ethyl (3S)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]hexanoate
CID 102303295
ethyl 3-anilino-3-cyanopropanoate
CID 66432357
methyl 2-anilinopentanoate
CID 60992581
4-anilino-5-ethoxy-5-oxopentanoic acid
CID 70498709
ethyl (2R)-2-anilinotridecanoate
CID 155931058
diethyl 2-[anilino-(4-chlorophenyl)methyl]butanedioate
CID 16753203
ethyl 4-anilino-3-methyl-4-oxobutanoate
CID 10633516
(2S)-2-anilinopentanoic acid
CID 22847649

Frequently Asked Questions

What is the IUPAC name of ethyl 3-anilinohexanoate?
The IUPAC name of ethyl 3-anilinohexanoate (CID 10354056) is ethyl 3-anilinohexanoate.
What is the SMILES notation for ethyl 3-anilinohexanoate?
The canonical SMILES for ethyl 3-anilinohexanoate is CCCC(CC(=O)OCC)Nc1ccccc1.
What is the InChIKey of ethyl 3-anilinohexanoate?
The InChIKey is ORASNKGRRVCCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-8-13(11-14(16)17-4-2)15-12-9-6-5-7-10-12/h5-7,9-10,13,15H,3-4,8,11H2,1-2H3.
What are the key properties of ethyl 3-anilinohexanoate?
ethyl 3-anilinohexanoate has a molecular weight of 235.33 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-anilinohexanoate is sourced from PubChem (CID 10354056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).