N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide

C17H33NO5 — CID 122549823

IUPACN-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide
SMILESCCCCCCCCCC(=O)N(C)CC1OC(CO)C(O)C1O
InChIInChI=1S/C17H33NO5/c1-3-4-5-6-7-8-9-10-15(20)18(2)11-13-16(21)17(22)14(12-19)23-13/h13-14,16-17,19,21-22H,3-12H2,1-2H3
InChIKeyPWGYXMSWNMNGPF-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.07
Rot. Bonds11

About N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide

N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide (PubChem CID 122549823) has the molecular formula C17H33NO5 and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide.

Molecular Properties

Compound NameN-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide
PubChem CID122549823
Molecular FormulaC17H33NO5
Molecular Weight331.45 g/mol
Exact Mass331.24
IUPAC NameN-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide
SMILESCCCCCCCCCC(=O)N(C)CC1OC(CO)C(O)C1O
InChIInChI=1S/C17H33NO5/c1-3-4-5-6-7-8-9-10-15(20)18(2)11-13-16(21)17(22)14(12-19)23-13/h13-14,16-17,19,21-22H,3-12H2,1-2H3
InChIKeyPWGYXMSWNMNGPF-UHFFFAOYSA-N
XLogP1.07
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.07
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

1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pentadecan-2-one
CID 159949969
1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tridecan-2-one
CID 45378468
N-dodecyl-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]dodecanamide
CID 100968021
N-octadecyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]tetradecanamide
CID 13230943
N-octadecyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]dodecanamide
CID 13230937
N-dodecyl-N-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide
CID 70444988
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-octyloxane-3,4,5-triol
CID 91217926
(3R,4R)-2-(hydroxymethyl)-6-tridecyloxane-3,4,5-triol
CID 158921249
2-heptadecyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 73150554
N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide
CID 19889031
N-hexadecyl-N-[2-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]hexadecanamide
CID 67778999
N-[(2R,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-dodecyloctadecanamide
CID 18633866

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide?
The IUPAC name of N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide (CID 122549823) is N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide.
What is the SMILES notation for N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide?
The canonical SMILES for N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide is CCCCCCCCCC(=O)N(C)CC1OC(CO)C(O)C1O.
What is the InChIKey of N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide?
The InChIKey is PWGYXMSWNMNGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO5/c1-3-4-5-6-7-8-9-10-15(20)18(2)11-13-16(21)17(22)14(12-19)23-13/h13-14,16-17,19,21-22H,3-12H2,1-2H3.
What are the key properties of N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide?
N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide has a molecular weight of 331.45 g/mol, XLogP of 1.07, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-N-methyldecanamide is sourced from PubChem (CID 122549823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).