N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide

C19H37NO5 — CID 155614587

IUPACN-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide
SMILESCCCCCCCCCC(=O)NC1[C@H](C(C)C)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H37NO5/c1-4-5-6-7-8-9-10-11-15(22)20-16-18(24)17(23)14(12-21)25-19(16)13(2)3/h13-14,16-19,21,23-24H,4-12H2,1-3H3,(H,20,22)/t14?,16?,17-,18-,19+/m1/s1
InChIKeyXFNLPBOKDFEVOQ-XXXOSLHZSA-N
MW359.51 g/mol
LogP1.75
Rot. Bonds11

About 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]decanamide (PubChem CID 155614587) has the molecular formula C19H37NO5 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide.

Molecular Properties

Compound NameN-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide
PubChem CID155614587
Molecular FormulaC19H37NO5
Molecular Weight359.51 g/mol
Exact Mass359.27
IUPAC NameN-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide
SMILESCCCCCCCCCC(=O)NC1[C@H](C(C)C)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H37NO5/c1-4-5-6-7-8-9-10-11-15(22)20-16-18(24)17(23)14(12-21)25-19(16)13(2)3/h13-14,16-19,21,23-24H,4-12H2,1-3H3,(H,20,22)/t14?,16?,17-,18-,19+/m1/s1
InChIKeyXFNLPBOKDFEVOQ-XXXOSLHZSA-N
XLogP1.75
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.75
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

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-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexadecanamide
CID 101090548
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]hexadecanamide
CID 18595870
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)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
CID 10125697
N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide
CID 71203777
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
N-[2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]hexadec-9-enamide
CID 123527153

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide?
The IUPAC name of N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide (CID 155614587) is N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide.
What is the SMILES notation for N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide?
The canonical SMILES for N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide is CCCCCCCCCC(=O)NC1[C@H](C(C)C)OC(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide?
The InChIKey is XFNLPBOKDFEVOQ-XXXOSLHZSA-N. The full InChI is InChI=1S/C19H37NO5/c1-4-5-6-7-8-9-10-11-15(22)20-16-18(24)17(23)14(12-21)25-19(16)13(2)3/h13-14,16-19,21,23-24H,4-12H2,1-3H3,(H,20,22)/t14?,16?,17-,18-,19+/m1/s1.
What are the key properties of 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]decanamide has a molecular weight of 359.51 g/mol, XLogP of 1.75, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide is sourced from PubChem (CID 155614587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).