N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide

C19H39NO3 — CID 16755624

IUPACN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC=O
InChIInChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)18(16-21)20-17-22/h17-19,21,23H,2-16H2,1H3,(H,20,22)/t18-,19+/m0/s1
InChIKeyXSDVOEIEBUGRQX-RBUKOAKNSA-N
MW329.53 g/mol
LogP3.94
Rot. Bonds18

About N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide

N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide (PubChem CID 16755624) has the molecular formula C19H39NO3 and a molecular weight of 329.53 g/mol. Its IUPAC name is N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide
PubChem CID16755624
Molecular FormulaC19H39NO3
Molecular Weight329.53 g/mol
Exact Mass329.29
IUPAC NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC=O
InChIInChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)18(16-21)20-17-22/h17-19,21,23H,2-16H2,1H3,(H,20,22)/t18-,19+/m0/s1
InChIKeyXSDVOEIEBUGRQX-RBUKOAKNSA-N
XLogP3.94
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ceramide NG
CID 5283573
Cer(d18:0/26:0)
CID 644245
N-(hexadecanoyl)-sphinganine
CID 5283572
C20 Dihydroceramide
CID 5283574
N-(docosanoyl)-sphinganine
CID 5283575
N-tetracosanoylsphinganine
CID 5283577
N-(tetradecanoyl)-sphinganine
CID 10255824
N-((1S,2R)-2-Hydroxy-1-(hydroxymethyl)heptadecyl)acetamide
CID 6610273
N-(dodecanoyl)-sphinganine
CID 53481046
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tricosanamide
CID 53481049
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]pentacosanamide
CID 53481050
Palmitamidohexadecanediol
CID 15511094

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide?
The IUPAC name of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide (CID 16755624) is N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide.
What is the SMILES notation for N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide?
The canonical SMILES for N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide is CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC=O.
What is the InChIKey of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide?
The InChIKey is XSDVOEIEBUGRQX-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)18(16-21)20-17-22/h17-19,21,23H,2-16H2,1H3,(H,20,22)/t18-,19+/m0/s1.
What are the key properties of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide?
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide has a molecular weight of 329.53 g/mol, XLogP of 3.94, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]formamide is sourced from PubChem (CID 16755624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).