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

C18H37NO3 — CID 21309749

IUPACN-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide
SMILESCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O
InChIInChI=1S/C18H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)17(15-20)19-16(2)21/h17-18,20,22H,3-15H2,1-2H3,(H,19,21)/t17-,18+/m0/s1
InChIKeyVIKZAKIJMJLRKT-ZWKOTPCHSA-N
MW315.50 g/mol
LogP3.55
Rot. Bonds15

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

N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide (PubChem CID 21309749) has the molecular formula C18H37NO3 and a molecular weight of 315.50 g/mol. Its IUPAC name is N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide
PubChem CID21309749
Molecular FormulaC18H37NO3
Molecular Weight315.50 g/mol
Exact Mass315.28
IUPAC NameN-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide
SMILESCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O
InChIInChI=1S/C18H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)17(15-20)19-16(2)21/h17-18,20,22H,3-15H2,1-2H3,(H,19,21)/t17-,18+/m0/s1
InChIKeyVIKZAKIJMJLRKT-ZWKOTPCHSA-N
XLogP3.55
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.55
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

N-(1,3-dihydroxypentadecan-2-yl)acetamide
CID 54071291
N-[(2S,4R)-1,3,4-trihydroxyoctadecan-2-yl]acetamide
CID 171461966
N-(1,3-dihydroxyoctacosan-2-yl)-2-hydroxyhexacosanamide
CID 138226056
N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxypentadecanamide
CID 138250919
N-(1,3-dihydroxyoctacosan-2-yl)-2-hydroxyoctadecanamide
CID 138265386
2-decyl-N-(1,3-dihydroxyoctadecan-2-yl)tetradecanamide
CID 11308267
N-(1,3-dihydroxyoctacosan-2-yl)tridecanamide
CID 138224349
N-(1,3-dihydroxyicosan-2-yl)nonadecanamide
CID 132994670
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide
CID 138312003
N-(1,3-dihydroxytetradecan-2-yl)-2-hydroxynonacosanamide
CID 138246713
N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxydotetracontanamide
CID 138179664
N-(1,3-dihydroxyhexacosan-2-yl)-2-hydroxyicosanamide
CID 138147990

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide (CID 21309749) is N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide is CCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O.
What is the InChIKey of N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide?
The InChIKey is VIKZAKIJMJLRKT-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)17(15-20)19-16(2)21/h17-18,20,22H,3-15H2,1-2H3,(H,19,21)/t17-,18+/m0/s1.
What are the key properties of N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide?
N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide has a molecular weight of 315.50 g/mol, XLogP of 3.55, 15 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-dihydroxyhexadecan-2-yl]acetamide is sourced from PubChem (CID 21309749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).