(10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide

C20H39NO5 — CID 144528408

IUPAC(10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide
SMILESCC1O[C@@H](O[C@H](C)CCCCCCCCC(=O)NCCO)[C@@H](C)C[C@H]1O
InChIInChI=1S/C20H39NO5/c1-15-14-18(23)17(3)26-20(15)25-16(2)10-8-6-4-5-7-9-11-19(24)21-12-13-22/h15-18,20,22-23H,4-14H2,1-3H3,(H,21,24)/t15-,16+,17?,18+,20+/m0/s1
InChIKeyROTMURVPFGKWLI-WVYXSJDDSA-N
MW373.53 g/mol
LogP2.75
Rot. Bonds13

About (10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide

(10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide (PubChem CID 144528408) has the molecular formula C20H39NO5 and a molecular weight of 373.53 g/mol. Its IUPAC name is (10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide.

Molecular Properties

Compound Name(10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide
PubChem CID144528408
Molecular FormulaC20H39NO5
Molecular Weight373.53 g/mol
Exact Mass373.28
IUPAC Name(10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide
SMILESCC1O[C@@H](O[C@H](C)CCCCCCCCC(=O)NCCO)[C@@H](C)C[C@H]1O
InChIInChI=1S/C20H39NO5/c1-15-14-18(23)17(3)26-20(15)25-16(2)10-8-6-4-5-7-9-11-19(24)21-12-13-22/h15-18,20,22-23H,4-14H2,1-3H3,(H,21,24)/t15-,16+,17?,18+,20+/m0/s1
InChIKeyROTMURVPFGKWLI-WVYXSJDDSA-N
XLogP2.75
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide with MolForge

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Related Compounds

(26R)-26-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-(2-hydroxyethyl)-3-oxoheptacosanamide
CID 118797965
(20R)-20-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhenicosanoic acid
CID 86289709
(8R)-8-[(2R,3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxynonanoic acid
CID 90448377
(10R)-10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyundecanoic acid
CID 71514784
(7R)-7-[(3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoctan-2-one
CID 144528479
13-(3,5-dihydroxy-6-methyloxan-2-yl)oxytetradec-2-enoic acid
CID 162822051
16-(3,5-dihydroxy-6-methyloxan-2-yl)oxyheptadec-2-enoic acid
CID 162822049
tert-butyl (E,6R)-6-[(3S,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 174031490
tert-butyl (Z,6R)-6-[(3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoate
CID 155725513
(2R,3R,5R,6S)-2-[(2R)-7-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-6-methyloxane-3,5-diol
CID 11682306
(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoic acid
CID 86289656
2-[[(Z)-17-[(3R,4S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoctadec-9-enoyl]amino]ethyl-trimethylazanium
CID 53492693

Frequently Asked Questions

What is the IUPAC name of (10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide?
The IUPAC name of (10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide (CID 144528408) is (10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide.
What is the SMILES notation for (10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide?
The canonical SMILES for (10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide is CC1O[C@@H](O[C@H](C)CCCCCCCCC(=O)NCCO)[C@@H](C)C[C@H]1O.
What is the InChIKey of (10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide?
The InChIKey is ROTMURVPFGKWLI-WVYXSJDDSA-N. The full InChI is InChI=1S/C20H39NO5/c1-15-14-18(23)17(3)26-20(15)25-16(2)10-8-6-4-5-7-9-11-19(24)21-12-13-22/h15-18,20,22-23H,4-14H2,1-3H3,(H,21,24)/t15-,16+,17?,18+,20+/m0/s1.
What are the key properties of (10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide?
(10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide has a molecular weight of 373.53 g/mol, XLogP of 2.75, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-[(2R,3S,5R)-5-hydroxy-3,6-dimethyloxan-2-yl]oxy-N-(2-hydroxyethyl)undecanamide is sourced from PubChem (CID 144528408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).