N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide

C20H39NO5 — CID 59762533

IUPACN-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide
SMILESCCCCCCCCCC(=O)NCC1OC(C(C)(C)C)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H39NO5/c1-5-6-7-8-9-10-11-12-15(22)21-13-14-16(23)17(24)18(25)19(26-14)20(2,3)4/h14,16-19,23-25H,5-13H2,1-4H3,(H,21,22)/t14?,16-,17-,18?,19?/m0/s1
InChIKeyUSLLELCUUZJQLZ-BDLXZXNFSA-N
MW373.53 g/mol
LogP2.14
Rot. Bonds10

About N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide

N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide (PubChem CID 59762533) has the molecular formula C20H39NO5 and a molecular weight of 373.53 g/mol. Its IUPAC name is N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide.

Molecular Properties

Compound NameN-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide
PubChem CID59762533
Molecular FormulaC20H39NO5
Molecular Weight373.53 g/mol
Exact Mass373.28
IUPAC NameN-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide
SMILESCCCCCCCCCC(=O)NCC1OC(C(C)(C)C)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H39NO5/c1-5-6-7-8-9-10-11-12-15(22)21-13-14-16(23)17(24)18(25)19(26-14)20(2,3)4/h14,16-19,23-25H,5-13H2,1-4H3,(H,21,22)/t14?,16-,17-,18?,19?/m0/s1
InChIKeyUSLLELCUUZJQLZ-BDLXZXNFSA-N
XLogP2.14
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide
CID 68789169
N-stearoyl-beta-d-glucopyranosylamine
CID 156024828
N-[(2R,3R)-3-fluoro-7,7-dimethyl-1-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octan-2-yl]hexacosanamide
CID 24963375
N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]dodecanamide
CID 11728128
N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide
CID 15115050
N-[5-ethyl-6-(hydroxymethyl)-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]acetamide
CID 21335626
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-8-methylnonanamide
CID 22869862
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-8-methylnonanamide
CID 57107622
N-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide
CID 57828047
N-[2-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 57915162
N-[(4S,5R,6R,7R)-6,7,8-trihydroxy-5-methoxy-2,2-dimethyloctan-4-yl]acetamide
CID 58201991
N-[[(3R,4R,6S)-3,4,5-trihydroxy-6-propan-2-yloxan-2-yl]methyl]acetamide
CID 58281217

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide?
The IUPAC name of N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide (CID 59762533) is N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide.
What is the SMILES notation for N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide?
The canonical SMILES for N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide is CCCCCCCCCC(=O)NCC1OC(C(C)(C)C)C(O)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide?
The InChIKey is USLLELCUUZJQLZ-BDLXZXNFSA-N. The full InChI is InChI=1S/C20H39NO5/c1-5-6-7-8-9-10-11-12-15(22)21-13-14-16(23)17(24)18(25)19(26-14)20(2,3)4/h14,16-19,23-25H,5-13H2,1-4H3,(H,21,22)/t14?,16-,17-,18?,19?/m0/s1.
What are the key properties of N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide?
N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide has a molecular weight of 373.53 g/mol, XLogP of 2.14, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]methyl]decanamide is sourced from PubChem (CID 59762533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).