2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate

C18H27NO4 — CID 12810861

IUPAC2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate
SMILESCCCC(=O)OCCN(CCOC(=O)CCC)c1ccccc1
InChIInChI=1S/C18H27NO4/c1-3-8-17(20)22-14-12-19(16-10-6-5-7-11-16)13-15-23-18(21)9-4-2/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKeyFOICHECCIAPOLF-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.18
Rot. Bonds11

About 2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate

2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate (PubChem CID 12810861) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate.

Molecular Properties

Compound Name2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate
PubChem CID12810861
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate
SMILESCCCC(=O)OCCN(CCOC(=O)CCC)c1ccccc1
InChIInChI=1S/C18H27NO4/c1-3-8-17(20)22-14-12-19(16-10-6-5-7-11-16)13-15-23-18(21)9-4-2/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKeyFOICHECCIAPOLF-UHFFFAOYSA-N
XLogP3.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate?
The IUPAC name of 2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate (CID 12810861) is 2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate.
What is the SMILES notation for 2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate?
The canonical SMILES for 2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate is CCCC(=O)OCCN(CCOC(=O)CCC)c1ccccc1.
What is the InChIKey of 2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate?
The InChIKey is FOICHECCIAPOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-3-8-17(20)22-14-12-19(16-10-6-5-7-11-16)13-15-23-18(21)9-4-2/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of 2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate?
2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate has a molecular weight of 321.42 g/mol, XLogP of 3.18, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-butanoyloxyethyl)anilino]ethyl butanoate is sourced from PubChem (CID 12810861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).