N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide

C21H43NO2 — CID 21299171

IUPACN-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(CO)C(C)C
InChIInChI=1S/C21H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-20(18-23)19(2)3/h19-20,23H,4-18H2,1-3H3,(H,22,24)
InChIKeyCUAZSQYMXJAXLC-UHFFFAOYSA-N
MW341.58 g/mol
LogP5.60
Rot. Bonds17

About N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide

N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide (PubChem CID 21299171) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
PubChem CID21299171
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(CO)C(C)C
InChIInChI=1S/C21H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-20(18-23)19(2)3/h19-20,23H,4-18H2,1-3H3,(H,22,24)
InChIKeyCUAZSQYMXJAXLC-UHFFFAOYSA-N
XLogP5.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.60
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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
CID 122518187
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
CID 173063108
N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide
CID 90449017
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79250170
N-(1-bromo-3-methylbutan-2-yl)dodecanamide
CID 114316280
N-(1-chloro-3-methylbutan-2-yl)hexanamide
CID 114305402
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide
CID 134748261
N-(1,3-dihydroxyheptadecan-2-yl)henicosanamide
CID 132994418
N-(1,3-dihydroxydocosan-2-yl)tridecanamide
CID 132994852
N-(1,3-dihydroxynonacosan-2-yl)hexadecanamide
CID 138272170

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide (CID 21299171) is N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide?
The InChIKey is CUAZSQYMXJAXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-20(18-23)19(2)3/h19-20,23H,4-18H2,1-3H3,(H,22,24).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide?
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide has a molecular weight of 341.58 g/mol, XLogP of 5.60, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide is sourced from PubChem (CID 21299171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).