N-octanoyloctanamide;hydrobromide

C16H32BrNO2 — CID 175059894

IUPACN-octanoyloctanamide;hydrobromide
SMILESBr.CCCCCCCC(=O)NC(=O)CCCCCCC
InChIInChI=1S/C16H31NO2.BrH/c1-3-5-7-9-11-13-15(18)17-16(19)14-12-10-8-6-4-2;/h3-14H2,1-2H3,(H,17,18,19);1H
InChIKeyQTAAXUGPUMZEJJ-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.93
Rot. Bonds12

About N-octanoyloctanamide;hydrobromide

N-octanoyloctanamide;hydrobromide (PubChem CID 175059894) has the molecular formula C16H32BrNO2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-octanoyloctanamide;hydrobromide.

Molecular Properties

Compound NameN-octanoyloctanamide;hydrobromide
PubChem CID175059894
Molecular FormulaC16H32BrNO2
Molecular Weight350.34 g/mol
Exact Mass349.16
IUPAC NameN-octanoyloctanamide;hydrobromide
SMILESBr.CCCCCCCC(=O)NC(=O)CCCCCCC
InChIInChI=1S/C16H31NO2.BrH/c1-3-5-7-9-11-13-15(18)17-16(19)14-12-10-8-6-4-2;/h3-14H2,1-2H3,(H,17,18,19);1H
InChIKeyQTAAXUGPUMZEJJ-UHFFFAOYSA-N
XLogP4.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.93
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

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CID 87914075
N-acetylundecanamide
CID 18949728
N-carbamoyloctanamide
CID 24740663
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CID 88681823
N-(2-methylpropanoyl)heptanamide
CID 150179955
N-prop-1-en-2-ylheptanamide
CID 89354267
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
2-(heptanoylamino)but-2-enoic acid
CID 54363986
2-(octadecanoylamino)prop-2-enoic acid
CID 126504560
N-hexadecanoylhexadecanamide;2-(propylamino)ethanol
CID 175405051
N-methylundecanamide
CID 23297450
N-methylheptacosanamide
CID 18175889

Frequently Asked Questions

What is the IUPAC name of N-octanoyloctanamide;hydrobromide?
The IUPAC name of N-octanoyloctanamide;hydrobromide (CID 175059894) is N-octanoyloctanamide;hydrobromide.
What is the SMILES notation for N-octanoyloctanamide;hydrobromide?
The canonical SMILES for N-octanoyloctanamide;hydrobromide is Br.CCCCCCCC(=O)NC(=O)CCCCCCC.
What is the InChIKey of N-octanoyloctanamide;hydrobromide?
The InChIKey is QTAAXUGPUMZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2.BrH/c1-3-5-7-9-11-13-15(18)17-16(19)14-12-10-8-6-4-2;/h3-14H2,1-2H3,(H,17,18,19);1H.
What are the key properties of N-octanoyloctanamide;hydrobromide?
N-octanoyloctanamide;hydrobromide has a molecular weight of 350.34 g/mol, XLogP of 4.93, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octanoyloctanamide;hydrobromide is sourced from PubChem (CID 175059894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).