carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+)

C22H45NOOs — CID 162756448

IUPACcarbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+)
SMILES[CH2-]CC(C)(C)NC(=O)CCCCCCCCCCCCCCC.[CH3-].[Os+2]
InChIInChI=1S/C21H42NO.CH3.Os/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)22-21(3,4)6-2;;/h2,5-19H2,1,3-4H3,(H,22,23);1H3;/q2*-1;+2
InChIKeyVEJBMHNNCKUWKY-UHFFFAOYSA-N
MW529.84 g/mol
LogP7.03
Rot. Bonds16

About carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+)

carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+) (PubChem CID 162756448) has the molecular formula C22H45NOOs and a molecular weight of 529.84 g/mol. Its IUPAC name is carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+).

Molecular Properties

Compound Namecarbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+)
PubChem CID162756448
Molecular FormulaC22H45NOOs
Molecular Weight529.84 g/mol
Exact Mass531.31
IUPAC Namecarbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+)
SMILES[CH2-]CC(C)(C)NC(=O)CCCCCCCCCCCCCCC.[CH3-].[Os+2]
InChIInChI=1S/C21H42NO.CH3.Os/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)22-21(3,4)6-2;;/h2,5-19H2,1,3-4H3,(H,22,23);1H3;/q2*-1;+2
InChIKeyVEJBMHNNCKUWKY-UHFFFAOYSA-N
XLogP7.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.84
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)dodecanamide
CID 13410459
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
N-(2-methylbut-3-yn-2-yl)dodecanamide
CID 65426604
N-(1-bromo-2-methylbutan-2-yl)nonanamide
CID 114314390
N-[2-(ethylamino)butan-2-yl]icosanamide
CID 158301838
N-iodooctanamide
CID 19040107
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
N-(2-cyanobutan-2-yl)heptanamide
CID 115599534

Frequently Asked Questions

What is the IUPAC name of carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+)?
The IUPAC name of carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+) (CID 162756448) is carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+).
What is the SMILES notation for carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+)?
The canonical SMILES for carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+) is [CH2-]CC(C)(C)NC(=O)CCCCCCCCCCCCCCC.[CH3-].[Os+2].
What is the InChIKey of carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+)?
The InChIKey is VEJBMHNNCKUWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42NO.CH3.Os/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)22-21(3,4)6-2;;/h2,5-19H2,1,3-4H3,(H,22,23);1H3;/q2*-1;+2.
What are the key properties of carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+)?
carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+) has a molecular weight of 529.84 g/mol, XLogP of 7.03, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+) is sourced from PubChem (CID 162756448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).