8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide

C44H90N2O2 — CID 170755316

IUPAC8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide
SMILESCCCCCCCCCN(C)C(=O)CCCCCCCN(CCO)CCCCCCCC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C44H90N2O2/c1-5-8-11-14-17-24-31-38-45(4)44(48)37-30-23-19-26-33-40-46(41-42-47)39-32-25-18-22-29-36-43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3/h43,47H,5-42H2,1-4H3
InChIKeyKVJOPDHMBOTLLH-UHFFFAOYSA-N
MW679.22 g/mol
LogP13.29
Rot. Bonds40

About 8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide

8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide (PubChem CID 170755316) has the molecular formula C44H90N2O2 and a molecular weight of 679.22 g/mol. Its IUPAC name is 8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide.

Molecular Properties

Compound Name8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide
PubChem CID170755316
Molecular FormulaC44H90N2O2
Molecular Weight679.22 g/mol
Exact Mass678.70
IUPAC Name8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide
SMILESCCCCCCCCCN(C)C(=O)CCCCCCCN(CCO)CCCCCCCC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C44H90N2O2/c1-5-8-11-14-17-24-31-38-45(4)44(48)37-30-23-19-26-33-40-46(41-42-47)39-32-25-18-22-29-36-43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3/h43,47H,5-42H2,1-4H3
InChIKeyKVJOPDHMBOTLLH-UHFFFAOYSA-N
XLogP13.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds40
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.22
LogP ≤ 513.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide with MolForge

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Related Compounds

N-heptadecan-9-yl-8-[2-hydroxyethyl-[6-[methyl(undecyl)amino]-6-oxohexyl]amino]-N-methyloctanamide
CID 171562649
hexadecan-8-yl 8-[[8-[hexyl(methyl)amino]-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate
CID 155278526
2-[octyl(10-pentylpentadecyl)amino]ethanol
CID 170755084
2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol
CID 166893886
methyl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;propane;undecane
CID 145328586
1-iodoundecan-6-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate
CID 155720144
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate
CID 161496164
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
hexyl 9-[2-hydroxyethyl(8-octylhexadecyl)amino]nonanoate
CID 170756745

Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide?
The IUPAC name of 8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide (CID 170755316) is 8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide.
What is the SMILES notation for 8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide?
The canonical SMILES for 8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide is CCCCCCCCCN(C)C(=O)CCCCCCCN(CCO)CCCCCCCC(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide?
The InChIKey is KVJOPDHMBOTLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H90N2O2/c1-5-8-11-14-17-24-31-38-45(4)44(48)37-30-23-19-26-33-40-46(41-42-47)39-32-25-18-22-29-36-43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3/h43,47H,5-42H2,1-4H3.
What are the key properties of 8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide?
8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide has a molecular weight of 679.22 g/mol, XLogP of 13.29, 40 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide is sourced from PubChem (CID 170755316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).