N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide

C14H29NO3 — CID 12618620

IUPACN-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide
SMILESCCCCCCCCC[C@H](O)[C@@H](CO)NC(C)=O
InChIInChI=1S/C14H29NO3/c1-3-4-5-6-7-8-9-10-14(18)13(11-16)15-12(2)17/h13-14,16,18H,3-11H2,1-2H3,(H,15,17)/t13-,14+/m1/s1
InChIKeyLSHNOWHTVSWJPP-KGLIPLIRSA-N
MW259.39 g/mol
LogP1.99
Rot. Bonds11

About N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide

N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide (PubChem CID 12618620) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide
PubChem CID12618620
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC NameN-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide
SMILESCCCCCCCCC[C@H](O)[C@@H](CO)NC(C)=O
InChIInChI=1S/C14H29NO3/c1-3-4-5-6-7-8-9-10-14(18)13(11-16)15-12(2)17/h13-14,16,18H,3-11H2,1-2H3,(H,15,17)/t13-,14+/m1/s1
InChIKeyLSHNOWHTVSWJPP-KGLIPLIRSA-N
XLogP1.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
Dihydroceramide
CID 16755624
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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide?
The IUPAC name of N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide (CID 12618620) is N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide.
What is the SMILES notation for N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide?
The canonical SMILES for N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide is CCCCCCCCC[C@H](O)[C@@H](CO)NC(C)=O.
What is the InChIKey of N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide?
The InChIKey is LSHNOWHTVSWJPP-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-4-5-6-7-8-9-10-14(18)13(11-16)15-12(2)17/h13-14,16,18H,3-11H2,1-2H3,(H,15,17)/t13-,14+/m1/s1.
What are the key properties of N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide?
N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide has a molecular weight of 259.39 g/mol, XLogP of 1.99, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]acetamide is sourced from PubChem (CID 12618620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).