N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide

C20H39NO5 — CID 71203777

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

About N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide

N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide (PubChem CID 71203777) has the molecular formula C20H39NO5 and a molecular weight of 373.53 g/mol. Its IUPAC name is N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide.

Molecular Properties

Compound NameN-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide
PubChem CID71203777
Molecular FormulaC20H39NO5
Molecular Weight373.53 g/mol
Exact Mass373.28
IUPAC NameN-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@@H]1C(O)[C@H](C(C)(C)C)OC(CO)[C@H]1O
InChIInChI=1S/C20H39NO5/c1-5-6-7-8-9-10-11-12-15(23)21-16-17(24)14(13-22)26-19(18(16)25)20(2,3)4/h14,16-19,22,24-25H,5-13H2,1-4H3,(H,21,23)/t14?,16-,17+,18?,19+/m0/s1
InChIKeyRTUOMLAJZSHUGS-UGHNHLSCSA-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-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexadecanamide
CID 101090548
N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide
CID 155614587
N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide
CID 70985585
(E)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]tetradec-9-enamide
CID 11132847
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]hexadecanamide
CID 18595870
N-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
CID 10125697
8-amino-N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]octanamide;N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide;N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-8-hydroxyoctanamide;N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]octanamide
CID 162031246
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[octadec-9-enoyl(propyl)amino]oxan-3-yl]octadec-9-enamide
CID 54319875
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]hexadecanamide
CID 70480518
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171
N-[(5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 71235358
N-[(2R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 58852887

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide?
The IUPAC name of N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide (CID 71203777) is N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide.
What is the SMILES notation for N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide?
The canonical SMILES for N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide is CCCCCCCCCC(=O)N[C@@H]1C(O)[C@H](C(C)(C)C)OC(CO)[C@H]1O.
What is the InChIKey of N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide?
The InChIKey is RTUOMLAJZSHUGS-UGHNHLSCSA-N. The full InChI is InChI=1S/C20H39NO5/c1-5-6-7-8-9-10-11-12-15(23)21-16-17(24)14(13-22)26-19(18(16)25)20(2,3)4/h14,16-19,22,24-25H,5-13H2,1-4H3,(H,21,23)/t14?,16-,17+,18?,19+/m0/s1.
What are the key properties of N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide?
N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]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-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide is sourced from PubChem (CID 71203777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).