(2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide

C21H42N2O2 — CID 58918026

IUPAC(2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)[C@H](N)CO
InChIInChI=1S/C21H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(25)20(22)19-24/h9-10,20,24H,2-8,11-19,22H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyHBCRQFIEMBOEFY-HXUWFJFHSA-N
MW354.58 g/mol
LogP4.46
Rot. Bonds18

About (2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide

(2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide (PubChem CID 58918026) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide
PubChem CID58918026
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name(2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)[C@H](N)CO
InChIInChI=1S/C21H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(25)20(22)19-24/h9-10,20,24H,2-8,11-19,22H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyHBCRQFIEMBOEFY-HXUWFJFHSA-N
XLogP4.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide?
The IUPAC name of (2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide (CID 58918026) is (2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide?
The canonical SMILES for (2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide is CCCCCCCCC=CCCCCCCCCNC(=O)[C@H](N)CO.
What is the InChIKey of (2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide?
The InChIKey is HBCRQFIEMBOEFY-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(25)20(22)19-24/h9-10,20,24H,2-8,11-19,22H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide?
(2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide has a molecular weight of 354.58 g/mol, XLogP of 4.46, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxy-N-octadec-9-enylpropanamide is sourced from PubChem (CID 58918026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).