N-(5-hydroxyhexyl)-N-methyloctanamide

C15H31NO2 — CID 143646438

IUPACN-(5-hydroxyhexyl)-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)CCCCC(C)O
InChIInChI=1S/C15H31NO2/c1-4-5-6-7-8-12-15(18)16(3)13-10-9-11-14(2)17/h14,17H,4-13H2,1-3H3
InChIKeyNADWLEPUYVGPLS-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.36
Rot. Bonds11

About N-(5-hydroxyhexyl)-N-methyloctanamide

N-(5-hydroxyhexyl)-N-methyloctanamide (PubChem CID 143646438) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(5-hydroxyhexyl)-N-methyloctanamide.

Molecular Properties

Compound NameN-(5-hydroxyhexyl)-N-methyloctanamide
PubChem CID143646438
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(5-hydroxyhexyl)-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)CCCCC(C)O
InChIInChI=1S/C15H31NO2/c1-4-5-6-7-8-12-15(18)16(3)13-10-9-11-14(2)17/h14,17H,4-13H2,1-3H3
InChIKeyNADWLEPUYVGPLS-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide
CID 170755316
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
N-heptadecan-9-yl-8-[2-hydroxyethyl-[6-[methyl(undecyl)amino]-6-oxohexyl]amino]-N-methyloctanamide
CID 171562649

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxyhexyl)-N-methyloctanamide?
The IUPAC name of N-(5-hydroxyhexyl)-N-methyloctanamide (CID 143646438) is N-(5-hydroxyhexyl)-N-methyloctanamide.
What is the SMILES notation for N-(5-hydroxyhexyl)-N-methyloctanamide?
The canonical SMILES for N-(5-hydroxyhexyl)-N-methyloctanamide is CCCCCCCC(=O)N(C)CCCCC(C)O.
What is the InChIKey of N-(5-hydroxyhexyl)-N-methyloctanamide?
The InChIKey is NADWLEPUYVGPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-5-6-7-8-12-15(18)16(3)13-10-9-11-14(2)17/h14,17H,4-13H2,1-3H3.
What are the key properties of N-(5-hydroxyhexyl)-N-methyloctanamide?
N-(5-hydroxyhexyl)-N-methyloctanamide has a molecular weight of 257.42 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxyhexyl)-N-methyloctanamide is sourced from PubChem (CID 143646438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).