(2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide

C24H42N2O3 — CID 46870948

IUPAC(2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@H](CO)NCc1ccccc1O
InChIInChI=1S/C24H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-25-24(29)22(20-27)26-19-21-16-13-14-17-23(21)28/h13-14,16-17,22,26-28H,2-12,15,18-20H2,1H3,(H,25,29)/t22-/m0/s1
InChIKeyBCSHMOMANFRYTE-QFIPXVFZSA-N
MW406.61 g/mol
LogP4.66
Rot. Bonds18

About (2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide

(2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide (PubChem CID 46870948) has the molecular formula C24H42N2O3 and a molecular weight of 406.61 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide
PubChem CID46870948
Molecular FormulaC24H42N2O3
Molecular Weight406.61 g/mol
Exact Mass406.32
IUPAC Name(2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@H](CO)NCc1ccccc1O
InChIInChI=1S/C24H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-25-24(29)22(20-27)26-19-21-16-13-14-17-23(21)28/h13-14,16-17,22,26-28H,2-12,15,18-20H2,1H3,(H,25,29)/t22-/m0/s1
InChIKeyBCSHMOMANFRYTE-QFIPXVFZSA-N
XLogP4.66
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.61
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide?
The IUPAC name of (2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide (CID 46870948) is (2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide is CCCCCCCCCCCCCCNC(=O)[C@H](CO)NCc1ccccc1O.
What is the InChIKey of (2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide?
The InChIKey is BCSHMOMANFRYTE-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-25-24(29)22(20-27)26-19-21-16-13-14-17-23(21)28/h13-14,16-17,22,26-28H,2-12,15,18-20H2,1H3,(H,25,29)/t22-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide?
(2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide has a molecular weight of 406.61 g/mol, XLogP of 4.66, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(2-hydroxyphenyl)methylamino]-N-tetradecylpropanamide is sourced from PubChem (CID 46870948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).