N-[(3-hydroxycyclobutyl)methyl]dodecanamide

C17H33NO2 — CID 66006246

IUPACN-[(3-hydroxycyclobutyl)methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC1CC(O)C1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-10-11-17(20)18-14-15-12-16(19)13-15/h15-16,19H,2-14H2,1H3,(H,18,20)
InChIKeyMADGCDLBAMMFBD-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.79
Rot. Bonds12

About N-[(3-hydroxycyclobutyl)methyl]dodecanamide

N-[(3-hydroxycyclobutyl)methyl]dodecanamide (PubChem CID 66006246) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]dodecanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]dodecanamide
PubChem CID66006246
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC1CC(O)C1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-10-11-17(20)18-14-15-12-16(19)13-15/h15-16,19H,2-14H2,1H3,(H,18,20)
InChIKeyMADGCDLBAMMFBD-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(3-hydroxycyclobutyl)methyl]pentanamide
CID 66006731
N-[(3-chlorocyclopentyl)methyl]decanamide
CID 106126403
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
N-[(3-chlorocyclohexyl)methyl]heptanamide
CID 106132379
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
4-hydroxy-N-[(3-hydroxycyclobutyl)methyl]pentanamide
CID 79192566
N-[(3-chlorocyclopentyl)methyl]pentanamide
CID 106127433
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-ethyltridecanamide
CID 23297417
N-ethylhexadecanamide
CID 18377756
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]dodecanamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]dodecanamide (CID 66006246) is N-[(3-hydroxycyclobutyl)methyl]dodecanamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]dodecanamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]dodecanamide is CCCCCCCCCCCC(=O)NCC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]dodecanamide?
The InChIKey is MADGCDLBAMMFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-10-11-17(20)18-14-15-12-16(19)13-15/h15-16,19H,2-14H2,1H3,(H,18,20).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]dodecanamide?
N-[(3-hydroxycyclobutyl)methyl]dodecanamide has a molecular weight of 283.46 g/mol, XLogP of 3.79, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]dodecanamide is sourced from PubChem (CID 66006246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).