6-(2-butyloctoxy)hexanamide

C18H37NO2 — CID 175423769

IUPAC6-(2-butyloctoxy)hexanamide
SMILESCCCCCCC(CCCC)COCCCCCC(N)=O
InChIInChI=1S/C18H37NO2/c1-3-5-7-9-13-17(12-6-4-2)16-21-15-11-8-10-14-18(19)20/h17H,3-16H2,1-2H3,(H2,19,20)
InChIKeyMQFQEOUJALJDFM-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.83
Rot. Bonds16

About 6-(2-butyloctoxy)hexanamide

6-(2-butyloctoxy)hexanamide (PubChem CID 175423769) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 6-(2-butyloctoxy)hexanamide.

Molecular Properties

Compound Name6-(2-butyloctoxy)hexanamide
PubChem CID175423769
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name6-(2-butyloctoxy)hexanamide
SMILESCCCCCCC(CCCC)COCCCCCC(N)=O
InChIInChI=1S/C18H37NO2/c1-3-5-7-9-13-17(12-6-4-2)16-21-15-11-8-10-14-18(19)20/h17H,3-16H2,1-2H3,(H2,19,20)
InChIKeyMQFQEOUJALJDFM-UHFFFAOYSA-N
XLogP4.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.83
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

6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
2-butyloctyl carbamate
CID 22099120
10-(butoxymethyl)henicosane
CID 87840055
2-butyloctyl 4-[2-(2-dodecoxyethoxy)ethoxy]butanoate
CID 121469904
2-butyloctyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470052
2-hexyldecyl 4-[2-(2-dodecoxyethoxy)ethoxy]butanoate
CID 121469457
2-hexyldecyl 4-[2-(2-octoxyethoxy)ethoxy]butanoate
CID 121470321
nonyl 4-[8-(2-octyldecoxy)octylamino]butanoate
CID 153367784
4-hexyldecanamide
CID 129239397
3-dodecoxypropanamide
CID 22235134

Frequently Asked Questions

What is the IUPAC name of 6-(2-butyloctoxy)hexanamide?
The IUPAC name of 6-(2-butyloctoxy)hexanamide (CID 175423769) is 6-(2-butyloctoxy)hexanamide.
What is the SMILES notation for 6-(2-butyloctoxy)hexanamide?
The canonical SMILES for 6-(2-butyloctoxy)hexanamide is CCCCCCC(CCCC)COCCCCCC(N)=O.
What is the InChIKey of 6-(2-butyloctoxy)hexanamide?
The InChIKey is MQFQEOUJALJDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-5-7-9-13-17(12-6-4-2)16-21-15-11-8-10-14-18(19)20/h17H,3-16H2,1-2H3,(H2,19,20).
What are the key properties of 6-(2-butyloctoxy)hexanamide?
6-(2-butyloctoxy)hexanamide has a molecular weight of 299.50 g/mol, XLogP of 4.83, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butyloctoxy)hexanamide is sourced from PubChem (CID 175423769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).