N-(1,3-dihydroxypentadecan-2-yl)acetamide

C17H35NO3 — CID 54071291

IUPACN-(1,3-dihydroxypentadecan-2-yl)acetamide
SMILESCCCCCCCCCCCCC(O)C(CO)NC(C)=O
InChIInChI=1S/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17(21)16(14-19)18-15(2)20/h16-17,19,21H,3-14H2,1-2H3,(H,18,20)
InChIKeyMGQBWOZECDIZTE-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.16
Rot. Bonds14

About N-(1,3-dihydroxypentadecan-2-yl)acetamide

N-(1,3-dihydroxypentadecan-2-yl)acetamide (PubChem CID 54071291) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is N-(1,3-dihydroxypentadecan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypentadecan-2-yl)acetamide
PubChem CID54071291
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC NameN-(1,3-dihydroxypentadecan-2-yl)acetamide
SMILESCCCCCCCCCCCCC(O)C(CO)NC(C)=O
InChIInChI=1S/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17(21)16(14-19)18-15(2)20/h16-17,19,21H,3-14H2,1-2H3,(H,18,20)
InChIKeyMGQBWOZECDIZTE-UHFFFAOYSA-N
XLogP3.16
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.16
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-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide
CID 21309749
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)-2-hydroxytetracontanamide
CID 138193702
N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide
CID 134748261
N-(1,3-dihydroxyheptadecan-2-yl)henicosanamide
CID 132994418
N-(1,3-dihydroxydocosan-2-yl)tridecanamide
CID 132994852
N-(1,3-dihydroxynonacosan-2-yl)hexadecanamide
CID 138272170
N-(1,3-dihydroxypentacosan-2-yl)-2-hydroxynonadecanamide
CID 138295234

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypentadecan-2-yl)acetamide?
The IUPAC name of N-(1,3-dihydroxypentadecan-2-yl)acetamide (CID 54071291) is N-(1,3-dihydroxypentadecan-2-yl)acetamide.
What is the SMILES notation for N-(1,3-dihydroxypentadecan-2-yl)acetamide?
The canonical SMILES for N-(1,3-dihydroxypentadecan-2-yl)acetamide is CCCCCCCCCCCCC(O)C(CO)NC(C)=O.
What is the InChIKey of N-(1,3-dihydroxypentadecan-2-yl)acetamide?
The InChIKey is MGQBWOZECDIZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17(21)16(14-19)18-15(2)20/h16-17,19,21H,3-14H2,1-2H3,(H,18,20).
What are the key properties of N-(1,3-dihydroxypentadecan-2-yl)acetamide?
N-(1,3-dihydroxypentadecan-2-yl)acetamide has a molecular weight of 301.47 g/mol, XLogP of 3.16, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypentadecan-2-yl)acetamide is sourced from PubChem (CID 54071291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).