N-(1-hydroxyhexan-2-yl)icos-11-enamide

C26H51NO2 — CID 173265163

IUPACN-(1-hydroxyhexan-2-yl)icos-11-enamide
SMILESCCCCCCCCC=CCCCCCCCCCC(=O)NC(CO)CCCC
InChIInChI=1S/C26H51NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(29)27-25(24-28)22-6-4-2/h12-13,25,28H,3-11,14-24H2,1-2H3,(H,27,29)
InChIKeySEMKZZMLGJFPOK-UHFFFAOYSA-N
MW409.70 g/mol
LogP7.47
Rot. Bonds22

About N-(1-hydroxyhexan-2-yl)icos-11-enamide

N-(1-hydroxyhexan-2-yl)icos-11-enamide (PubChem CID 173265163) has the molecular formula C26H51NO2 and a molecular weight of 409.70 g/mol. Its IUPAC name is N-(1-hydroxyhexan-2-yl)icos-11-enamide.

Molecular Properties

Compound NameN-(1-hydroxyhexan-2-yl)icos-11-enamide
PubChem CID173265163
Molecular FormulaC26H51NO2
Molecular Weight409.70 g/mol
Exact Mass409.39
IUPAC NameN-(1-hydroxyhexan-2-yl)icos-11-enamide
SMILESCCCCCCCCC=CCCCCCCCCCC(=O)NC(CO)CCCC
InChIInChI=1S/C26H51NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(29)27-25(24-28)22-6-4-2/h12-13,25,28H,3-11,14-24H2,1-2H3,(H,27,29)
InChIKeySEMKZZMLGJFPOK-UHFFFAOYSA-N
XLogP7.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxyoctadecan-2-yl)octadec-9-enamide
CID 91503776
N-[(2S)-1-hydroxyoctadecan-2-yl]-16-oxoheptatriacont-28-enamide
CID 57156321
(9Z,12Z)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]octadeca-9,12-dienamide
CID 143858807
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxotetratetracontanamide
CID 57043708
N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide
CID 54249823
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxohexatetracontanamide
CID 57005666
N-(1-hydroxyicosan-2-yl)-12-oxopentacosanamide
CID 54427121
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadeca-9,12-dienamide
CID 123156271
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyhexan-2-yl)icos-11-enamide?
The IUPAC name of N-(1-hydroxyhexan-2-yl)icos-11-enamide (CID 173265163) is N-(1-hydroxyhexan-2-yl)icos-11-enamide.
What is the SMILES notation for N-(1-hydroxyhexan-2-yl)icos-11-enamide?
The canonical SMILES for N-(1-hydroxyhexan-2-yl)icos-11-enamide is CCCCCCCCC=CCCCCCCCCCC(=O)NC(CO)CCCC.
What is the InChIKey of N-(1-hydroxyhexan-2-yl)icos-11-enamide?
The InChIKey is SEMKZZMLGJFPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(29)27-25(24-28)22-6-4-2/h12-13,25,28H,3-11,14-24H2,1-2H3,(H,27,29).
What are the key properties of N-(1-hydroxyhexan-2-yl)icos-11-enamide?
N-(1-hydroxyhexan-2-yl)icos-11-enamide has a molecular weight of 409.70 g/mol, XLogP of 7.47, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyhexan-2-yl)icos-11-enamide is sourced from PubChem (CID 173265163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).