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

C22H37NO2 — CID 156581200

IUPACN-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide
SMILESCCCCCCCCCCC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O
InChIInChI=1S/C22H37NO2/c1-3-4-5-6-7-8-9-10-14-17-22(25)21(23-19(2)24)18-20-15-12-11-13-16-20/h11-13,15-16,21-22,25H,3-10,14,17-18H2,1-2H3,(H,23,24)/t21-,22+/m0/s1
InChIKeyYHKOCEISRVVYPI-FCHUYYIVSA-N
MW347.54 g/mol
LogP5.02
Rot. Bonds14

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

N-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide (PubChem CID 156581200) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide
PubChem CID156581200
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC NameN-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide
SMILESCCCCCCCCCCC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O
InChIInChI=1S/C22H37NO2/c1-3-4-5-6-7-8-9-10-14-17-22(25)21(23-19(2)24)18-20-15-12-11-13-16-20/h11-13,15-16,21-22,25H,3-10,14,17-18H2,1-2H3,(H,23,24)/t21-,22+/m0/s1
InChIKeyYHKOCEISRVVYPI-FCHUYYIVSA-N
XLogP5.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 55.02
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,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide (CID 156581200) is N-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide is CCCCCCCCCCC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide?
The InChIKey is YHKOCEISRVVYPI-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H37NO2/c1-3-4-5-6-7-8-9-10-14-17-22(25)21(23-19(2)24)18-20-15-12-11-13-16-20/h11-13,15-16,21-22,25H,3-10,14,17-18H2,1-2H3,(H,23,24)/t21-,22+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide?
N-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide has a molecular weight of 347.54 g/mol, XLogP of 5.02, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxy-1-phenyltetradecan-2-yl]acetamide is sourced from PubChem (CID 156581200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).