N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide

C16H33NO2 — CID 90683236

IUPACN-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide
SMILESCCCCCCCCCCC[C@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-16(19)14(2)17-15(3)18/h14,16,19H,4-13H2,1-3H3,(H,17,18)/t14-,16-/m0/s1
InChIKeyIIHODMXLVYVECB-HOCLYGCPSA-N
MW271.44 g/mol
LogP3.79
Rot. Bonds12

About N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide

N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide (PubChem CID 90683236) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide
PubChem CID90683236
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide
SMILESCCCCCCCCCCC[C@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-16(19)14(2)17-15(3)18/h14,16,19H,4-13H2,1-3H3,(H,17,18)/t14-,16-/m0/s1
InChIKeyIIHODMXLVYVECB-HOCLYGCPSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide?
The IUPAC name of N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide (CID 90683236) is N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide is CCCCCCCCCCC[C@H](O)[C@H](C)NC(C)=O.
What is the InChIKey of N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide?
The InChIKey is IIHODMXLVYVECB-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-16(19)14(2)17-15(3)18/h14,16,19H,4-13H2,1-3H3,(H,17,18)/t14-,16-/m0/s1.
What are the key properties of N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide?
N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide has a molecular weight of 271.44 g/mol, XLogP of 3.79, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-hydroxytetradecan-2-yl]acetamide is sourced from PubChem (CID 90683236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).