3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide

C26H43NO5 — CID 15023728

IUPAC3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide
SMILESCCCCCCCCCCCC(O)CC(=O)N[C@H]1COC[C@@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C26H43NO5/c1-2-3-4-5-6-7-8-9-13-16-22(28)17-25(29)27-23-19-31-20-24(26(23)30)32-18-21-14-11-10-12-15-21/h10-12,14-15,22-24,26,28,30H,2-9,13,16-20H2,1H3,(H,27,29)/t22?,23-,24+,26+/m0/s1
InChIKeyVJTRSSBYBHPRAY-GVYCOKPDSA-N
MW449.63 g/mol
LogP4.12
Rot. Bonds16

About 3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide

3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide (PubChem CID 15023728) has the molecular formula C26H43NO5 and a molecular weight of 449.63 g/mol. Its IUPAC name is 3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide
PubChem CID15023728
Molecular FormulaC26H43NO5
Molecular Weight449.63 g/mol
Exact Mass449.31
IUPAC Name3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide
SMILESCCCCCCCCCCCC(O)CC(=O)N[C@H]1COC[C@@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C26H43NO5/c1-2-3-4-5-6-7-8-9-13-16-22(28)17-25(29)27-23-19-31-20-24(26(23)30)32-18-21-14-11-10-12-15-21/h10-12,14-15,22-24,26,28,30H,2-9,13,16-20H2,1H3,(H,27,29)/t22?,23-,24+,26+/m0/s1
InChIKeyVJTRSSBYBHPRAY-GVYCOKPDSA-N
XLogP4.12
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.63
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-didecoxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]benzamide
CID 15023729
benzyl 2-hydroxydodecyl carbonate
CID 139815173
[(2R)-3-phenylmethoxy-2-(tetradecanoylamino)propyl] (3R)-3-hydroxydecanoate
CID 59055156
9-hydroxy-4-phenylmethoxyoctadecanoic acid
CID 101300091
barium(2+);bis(3-hydroxy-10-phenylmethoxyoctadecanoate)
CID 101300282
(3S)-3-phenylmethoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]tetradecanamide
CID 70441816
5-hydroxy-12-phenylmethoxyoctadecanoic acid
CID 101300355
tert-butyl N-[(1R,2S,3R,5S)-2-(2-hydroxyheptoxy)-3,5-bis(phenylmethoxy)cyclopentyl]-N-methylcarbamate
CID 70584821
(4R,5R)-2-octadecoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102410238
2-[methyl(propan-2-yl)amino]-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91760455
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide?
The IUPAC name of 3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide (CID 15023728) is 3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide.
What is the SMILES notation for 3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide?
The canonical SMILES for 3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide is CCCCCCCCCCCC(O)CC(=O)N[C@H]1COC[C@@H](OCc2ccccc2)[C@@H]1O.
What is the InChIKey of 3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide?
The InChIKey is VJTRSSBYBHPRAY-GVYCOKPDSA-N. The full InChI is InChI=1S/C26H43NO5/c1-2-3-4-5-6-7-8-9-13-16-22(28)17-25(29)27-23-19-31-20-24(26(23)30)32-18-21-14-11-10-12-15-21/h10-12,14-15,22-24,26,28,30H,2-9,13,16-20H2,1H3,(H,27,29)/t22?,23-,24+,26+/m0/s1.
What are the key properties of 3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide?
3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide has a molecular weight of 449.63 g/mol, XLogP of 4.12, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3S,4R,5R)-4-hydroxy-5-phenylmethoxyoxan-3-yl]tetradecanamide is sourced from PubChem (CID 15023728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).