N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide

C22H35NO2 — CID 156581201

IUPACN-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide
SMILESCCCC/C=C\CCCCC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O
InChIInChI=1S/C22H35NO2/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/h6-7,11-13,15-16,21-22,25H,3-5,8-10,14,17-18H2,1-2H3,(H,23,24)/b7-6-/t21-,22+/m0/s1
InChIKeyAYOJSPXYLNCMLY-HWEXMVQRSA-N
MW345.53 g/mol
LogP4.79
Rot. Bonds13

About N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide

N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide (PubChem CID 156581201) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide
PubChem CID156581201
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC NameN-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide
SMILESCCCC/C=C\CCCCC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O
InChIInChI=1S/C22H35NO2/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/h6-7,11-13,15-16,21-22,25H,3-5,8-10,14,17-18H2,1-2H3,(H,23,24)/b7-6-/t21-,22+/m0/s1
InChIKeyAYOJSPXYLNCMLY-HWEXMVQRSA-N
XLogP4.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide?
The IUPAC name of N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide (CID 156581201) is N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide?
The canonical SMILES for N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide is CCCC/C=C\CCCCC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O.
What is the InChIKey of N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide?
The InChIKey is AYOJSPXYLNCMLY-HWEXMVQRSA-N. The full InChI is InChI=1S/C22H35NO2/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/h6-7,11-13,15-16,21-22,25H,3-5,8-10,14,17-18H2,1-2H3,(H,23,24)/b7-6-/t21-,22+/m0/s1.
What are the key properties of N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide?
N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide has a molecular weight of 345.53 g/mol, XLogP of 4.79, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2S,3R)-3-hydroxy-1-phenyltetradec-9-en-2-yl]acetamide is sourced from PubChem (CID 156581201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).