2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol

C16H27NO4 — CID 122385773

IUPAC2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol
SMILESCCCOc1cc(OCCC)cc(N(CCO)CCO)c1
InChIInChI=1S/C16H27NO4/c1-3-9-20-15-11-14(17(5-7-18)6-8-19)12-16(13-15)21-10-4-2/h11-13,18-19H,3-10H2,1-2H3
InChIKeyLIYCRMMHGFCFJI-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.06
Rot. Bonds11

About 2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol

2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol (PubChem CID 122385773) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol
PubChem CID122385773
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol
SMILESCCCOc1cc(OCCC)cc(N(CCO)CCO)c1
InChIInChI=1S/C16H27NO4/c1-3-9-20-15-11-14(17(5-7-18)6-8-19)12-16(13-15)21-10-4-2/h11-13,18-19H,3-10H2,1-2H3
InChIKeyLIYCRMMHGFCFJI-UHFFFAOYSA-N
XLogP2.06
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol (CID 122385773) is 2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol is CCCOc1cc(OCCC)cc(N(CCO)CCO)c1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol?
The InChIKey is LIYCRMMHGFCFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-3-9-20-15-11-14(17(5-7-18)6-8-19)12-16(13-15)21-10-4-2/h11-13,18-19H,3-10H2,1-2H3.
What are the key properties of 2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol?
2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol has a molecular weight of 297.40 g/mol, XLogP of 2.06, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-3,5-dipropoxyanilino]ethanol is sourced from PubChem (CID 122385773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).