cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate

C40H77NO5 — CID 166560277

IUPACcyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate
SMILESCCCCCCCCCOC(=O)CCCCCN(CCO)CCCCCCCC(=O)OC1CCCCCCCCCCCCCC1
InChIInChI=1S/C40H77NO5/c1-2-3-4-5-14-20-28-37-45-39(43)31-25-21-27-34-41(35-36-42)33-26-19-15-18-24-32-40(44)46-38-29-22-16-12-10-8-6-7-9-11-13-17-23-30-38/h38,42H,2-37H2,1H3
InChIKeyDJBARMFMUKSOME-UHFFFAOYSA-N
MW652.06 g/mol
LogP10.86
Rot. Bonds25

About cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate

cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate (PubChem CID 166560277) has the molecular formula C40H77NO5 and a molecular weight of 652.06 g/mol. Its IUPAC name is cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate.

Molecular Properties

Compound Namecyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate
PubChem CID166560277
Molecular FormulaC40H77NO5
Molecular Weight652.06 g/mol
Exact Mass651.58
IUPAC Namecyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate
SMILESCCCCCCCCCOC(=O)CCCCCN(CCO)CCCCCCCC(=O)OC1CCCCCCCCCCCCCC1
InChIInChI=1S/C40H77NO5/c1-2-3-4-5-14-20-28-37-45-39(43)31-25-21-27-34-41(35-36-42)33-26-19-15-18-24-32-40(44)46-38-29-22-16-12-10-8-6-7-9-11-13-17-23-30-38/h38,42H,2-37H2,1H3
InChIKeyDJBARMFMUKSOME-UHFFFAOYSA-N
XLogP10.86
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.06
LogP ≤ 510.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexyl 8-[(8-cyclopentadecyloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate
CID 155278476
hexyl 8-[[8-(4-cyclohexylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate
CID 155278487
undecyl 6-[hexadecyl(2-hydroxyethyl)amino]hexanoate
CID 163381111
8-[2-hydroxyethyl(6-nonoxyhexyl)amino]octyl heptanoate
CID 176748587
nonyl 8-[2-hydroxyethyl(propyl)amino]octanoate
CID 166923357
pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate
CID 129286302
4-O-cycloheptyl 1-O-octadecyl butanedioate
CID 91710592
6-[(6-decoxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoic acid
CID 175430453
8-[(6-decoxy-6-oxohexyl)-(2-hydroxyethyl)amino]octanoic acid
CID 175221133
hexyl 5-[(5-hexoxy-5-oxopentyl)-(6-hydroxyhexyl)amino]pentanoate
CID 163217999
octyl 5-[6-hydroxyhexyl-(5-octoxy-5-oxopentyl)amino]pentanoate
CID 163217974
undecyl 6-[[6-[3,3-bis(2-cyclohexylethoxy)propoxy]-6-oxohexyl]-(2-hydroxyethyl)amino]hexanoate
CID 178070177

Frequently Asked Questions

What is the IUPAC name of cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate?
The IUPAC name of cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate (CID 166560277) is cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate.
What is the SMILES notation for cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate?
The canonical SMILES for cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate is CCCCCCCCCOC(=O)CCCCCN(CCO)CCCCCCCC(=O)OC1CCCCCCCCCCCCCC1.
What is the InChIKey of cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate?
The InChIKey is DJBARMFMUKSOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H77NO5/c1-2-3-4-5-14-20-28-37-45-39(43)31-25-21-27-34-41(35-36-42)33-26-19-15-18-24-32-40(44)46-38-29-22-16-12-10-8-6-7-9-11-13-17-23-30-38/h38,42H,2-37H2,1H3.
What are the key properties of cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate?
cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate has a molecular weight of 652.06 g/mol, XLogP of 10.86, 25 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentadecyl 8-[2-hydroxyethyl-(6-nonoxy-6-oxohexyl)amino]octanoate is sourced from PubChem (CID 166560277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).