N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide

C15H29NO5 — CID 145183090

IUPACN-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
SMILESCCCCCCNC(=O)C(CO)C1CC(O)CC(CO)O1
InChIInChI=1S/C15H29NO5/c1-2-3-4-5-6-16-15(20)13(10-18)14-8-11(19)7-12(9-17)21-14/h11-14,17-19H,2-10H2,1H3,(H,16,20)
InChIKeyVZCFSOICONGYQB-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.19
Rot. Bonds9

About N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide

N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide (PubChem CID 145183090) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide.

Molecular Properties

Compound NameN-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
PubChem CID145183090
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC NameN-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
SMILESCCCCCCNC(=O)C(CO)C1CC(O)CC(CO)O1
InChIInChI=1S/C15H29NO5/c1-2-3-4-5-6-16-15(20)13(10-18)14-8-11(19)7-12(9-17)21-14/h11-14,17-19H,2-10H2,1H3,(H,16,20)
InChIKeyVZCFSOICONGYQB-UHFFFAOYSA-N
XLogP0.19
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.19
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

[4-(hydroxymethyl)oxetan-2-yl]methyl N-octadecylcarbamate
CID 21463379
2,3-dihydroxy-N-tetradecylpropanamide
CID 172845175
(2R)-2-amino-3-hydroxy-N-octylpropanamide
CID 82675053
N-hexyl-2-hydroxy-2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 134517851
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
(2S)-2-amino-N-[(2R,3R,4R,5S,6R)-2-[dodecylcarbamoyl(tetradecyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 18633982
(2R,3S,4S)-2,3,4,5-tetrahydroxy-N-octylpentanamide
CID 175982166
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
N-nonylcarbamoyl chloride
CID 89287231
N-octadecyl-2-octylicosanamide
CID 154636535
N,N'-diheptyloxamide
CID 3417538
2-(azetidin-3-yl)-N-octylpropanamide
CID 116678669

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The IUPAC name of N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide (CID 145183090) is N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide.
What is the SMILES notation for N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The canonical SMILES for N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide is CCCCCCNC(=O)C(CO)C1CC(O)CC(CO)O1.
What is the InChIKey of N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
The InChIKey is VZCFSOICONGYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-2-3-4-5-6-16-15(20)13(10-18)14-8-11(19)7-12(9-17)21-14/h11-14,17-19H,2-10H2,1H3,(H,16,20).
What are the key properties of N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide?
N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide has a molecular weight of 303.40 g/mol, XLogP of 0.19, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide is sourced from PubChem (CID 145183090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).