N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide

C22H43NO4 — CID 86146473

IUPACN,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide
SMILESCCCCCCCCC1OC1CCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C22H43NO4/c1-2-3-4-5-7-10-13-20-21(27-20)14-11-8-6-9-12-15-22(26)23(16-18-24)17-19-25/h20-21,24-25H,2-19H2,1H3
InChIKeyNMVHSNDMICOCQM-UHFFFAOYSA-N
MW385.59 g/mol
LogP4.05
Rot. Bonds19

About N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide

N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide (PubChem CID 86146473) has the molecular formula C22H43NO4 and a molecular weight of 385.59 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide
PubChem CID86146473
Molecular FormulaC22H43NO4
Molecular Weight385.59 g/mol
Exact Mass385.32
IUPAC NameN,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide
SMILESCCCCCCCCC1OC1CCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C22H43NO4/c1-2-3-4-5-7-10-13-20-21(27-20)14-11-8-6-9-12-15-22(26)23(16-18-24)17-19-25/h20-21,24-25H,2-19H2,1H3
InChIKeyNMVHSNDMICOCQM-UHFFFAOYSA-N
XLogP4.05
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.59
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide (CID 86146473) is N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide is CCCCCCCCC1OC1CCCCCCCC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide?
The InChIKey is NMVHSNDMICOCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO4/c1-2-3-4-5-7-10-13-20-21(27-20)14-11-8-6-9-12-15-22(26)23(16-18-24)17-19-25/h20-21,24-25H,2-19H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide?
N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide has a molecular weight of 385.59 g/mol, XLogP of 4.05, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-8-(3-octyloxiran-2-yl)octanamide is sourced from PubChem (CID 86146473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).