N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium

C24H47NO4Y — CID 168847524

IUPACN-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium
SMILESCCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H](COC)[C@H](O)C1OC.[Y]
InChIInChI=1S/C24H47NO4.Y/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-18-20(19-28-2)23(27)24(21)29-3;/h20-21,23-24,27H,4-19H2,1-3H3,(H,25,26);/t20-,21+,23+,24?;/m1./s1
InChIKeyLKSBVBPBFPHCOJ-VHRSXPFQSA-N
MW502.55 g/mol
LogP4.99
Rot. Bonds18

About N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium

N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium (PubChem CID 168847524) has the molecular formula C24H47NO4Y and a molecular weight of 502.55 g/mol. Its IUPAC name is N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium.

Molecular Properties

Compound NameN-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium
PubChem CID168847524
Molecular FormulaC24H47NO4Y
Molecular Weight502.55 g/mol
Exact Mass502.26
IUPAC NameN-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium
SMILESCCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H](COC)[C@H](O)C1OC.[Y]
InChIInChI=1S/C24H47NO4.Y/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-18-20(19-28-2)23(27)24(21)29-3;/h20-21,23-24,27H,4-19H2,1-3H3,(H,25,26);/t20-,21+,23+,24?;/m1./s1
InChIKeyLKSBVBPBFPHCOJ-VHRSXPFQSA-N
XLogP4.99
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R,4R)-3-[hydroxy(methoxy)phosphinothioyl]oxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide
CID 168847371
trans-methyl (1S,2S)-2-(dodecanoylamino)cyclobutane-1-carboxylate
CID 177480938
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
benzyl [(1R,3R,4R)-4-(hexadecanoylamino)-2-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxycyclopentyl]methyl carbonate
CID 174088316
methyl 4-(hexanoylamino)oxolane-3-carboxylate
CID 20729921
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
N-[(3S,5R)-5-methoxyoxepan-3-yl]nonanamide
CID 143289321
N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
CID 158939000
N-[2-(chloromethyl)cyclopentyl]nonanamide
CID 114179441
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium?
The IUPAC name of N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium (CID 168847524) is N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium.
What is the SMILES notation for N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium?
The canonical SMILES for N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium is CCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H](COC)[C@H](O)C1OC.[Y].
What is the InChIKey of N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium?
The InChIKey is LKSBVBPBFPHCOJ-VHRSXPFQSA-N. The full InChI is InChI=1S/C24H47NO4.Y/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-18-20(19-28-2)23(27)24(21)29-3;/h20-21,23-24,27H,4-19H2,1-3H3,(H,25,26);/t20-,21+,23+,24?;/m1./s1.
What are the key properties of N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium?
N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium has a molecular weight of 502.55 g/mol, XLogP of 4.99, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium is sourced from PubChem (CID 168847524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).