N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide

C22H46N2O2 — CID 175534157

IUPACN-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(CC)C(N)(O)CC
InChIInChI=1S/C22H46N2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)24-20(5-2)22(23,26)6-3/h20,26H,4-19,23H2,1-3H3,(H,24,25)
InChIKeyQWBUDMUIQKRQCX-UHFFFAOYSA-N
MW370.62 g/mol
LogP5.42
Rot. Bonds18

About N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide

N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide (PubChem CID 175534157) has the molecular formula C22H46N2O2 and a molecular weight of 370.62 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide
PubChem CID175534157
Molecular FormulaC22H46N2O2
Molecular Weight370.62 g/mol
Exact Mass370.36
IUPAC NameN-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(CC)C(N)(O)CC
InChIInChI=1S/C22H46N2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)24-20(5-2)22(23,26)6-3/h20,26H,4-19,23H2,1-3H3,(H,24,25)
InChIKeyQWBUDMUIQKRQCX-UHFFFAOYSA-N
XLogP5.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide
CID 175534176
N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 87088598
N-pentan-3-yldocosanamide
CID 123339332
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide
CID 175181589
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride
CID 175045491
N-(5-amino-4-hydroxy-5-methylhexan-3-yl)octadecanamide;phosphoric acid
CID 173356009
tert-butyl (2R)-2-(nonanoylamino)propanoate
CID 81004296
N-pentan-2-ylundecanamide
CID 173258559
N-[1-(methylamino)propyl]docosanamide
CID 87067975

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide?
The IUPAC name of N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide (CID 175534157) is N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide.
What is the SMILES notation for N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide?
The canonical SMILES for N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)NC(CC)C(N)(O)CC.
What is the InChIKey of N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide?
The InChIKey is QWBUDMUIQKRQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)24-20(5-2)22(23,26)6-3/h20,26H,4-19,23H2,1-3H3,(H,24,25).
What are the key properties of N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide?
N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide has a molecular weight of 370.62 g/mol, XLogP of 5.42, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide is sourced from PubChem (CID 175534157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).