N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide

C22H46N2O3 — CID 175534161

IUPACN-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(CC)C(N)C(O)CO
InChIInChI=1S/C22H46N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)24-19(4-2)22(23)20(26)18-25/h19-20,22,25-26H,3-18,23H2,1-2H3,(H,24,27)
InChIKeyRFWQFVCXCRLQPU-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.04
Rot. Bonds19

About N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide

N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide (PubChem CID 175534161) has the molecular formula C22H46N2O3 and a molecular weight of 386.62 g/mol. Its IUPAC name is N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide.

Molecular Properties

Compound NameN-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide
PubChem CID175534161
Molecular FormulaC22H46N2O3
Molecular Weight386.62 g/mol
Exact Mass386.35
IUPAC NameN-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(CC)C(N)C(O)CO
InChIInChI=1S/C22H46N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)24-19(4-2)22(23)20(26)18-25/h19-20,22,25-26H,3-18,23H2,1-2H3,(H,24,27)
InChIKeyRFWQFVCXCRLQPU-UHFFFAOYSA-N
XLogP4.04
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)-5,6-dihydroxyhexan-3-yl]docosanamide;hydrochloride
CID 175030855
N-(1,3-dihydroxyicosan-2-yl)heptadecanamide
CID 21259878
N-(1,3-dihydroxypentacosan-2-yl)hexacosanamide
CID 138284441
N-(1,3-dihydroxypentacosan-2-yl)tetracontanamide
CID 138123678
N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide
CID 132994093
N-(1,3-dihydroxyhexadecan-2-yl)hexadecanamide
CID 18006680
N-(1,3-dihydroxynonacosan-2-yl)heptadecanamide
CID 138282108
N-(1,3-dihydroxyicosan-2-yl)octatriacontanamide
CID 138249759
N-(1,3-dihydroxytricosan-2-yl)dotetracontanamide
CID 138129007
N-(1,3-dihydroxyhexacosan-2-yl)henicosanamide
CID 138311427
N-(1,3-dihydroxytriacontan-2-yl)hexadecanamide
CID 138180792
N-(1,3-dihydroxyheptadecan-2-yl)octacosanamide
CID 138221385

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide?
The IUPAC name of N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide (CID 175534161) is N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide.
What is the SMILES notation for N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide?
The canonical SMILES for N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)NC(CC)C(N)C(O)CO.
What is the InChIKey of N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide?
The InChIKey is RFWQFVCXCRLQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21(27)24-19(4-2)22(23)20(26)18-25/h19-20,22,25-26H,3-18,23H2,1-2H3,(H,24,27).
What are the key properties of N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide?
N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide has a molecular weight of 386.62 g/mol, XLogP of 4.04, 19 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide is sourced from PubChem (CID 175534161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).