N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide

C21H44N2O2 — CID 175534176

IUPACN-(2-amino-2-hydroxypentan-3-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(CC)C(C)(N)O
InChIInChI=1S/C21H44N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24)23-19(5-2)21(3,22)25/h19,25H,4-18,22H2,1-3H3,(H,23,24)
InChIKeyQBOJZNISDDMMPK-UHFFFAOYSA-N
MW356.60 g/mol
LogP5.03
Rot. Bonds17

About N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide

N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide (PubChem CID 175534176) has the molecular formula C21H44N2O2 and a molecular weight of 356.60 g/mol. Its IUPAC name is N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxypentan-3-yl)hexadecanamide
PubChem CID175534176
Molecular FormulaC21H44N2O2
Molecular Weight356.60 g/mol
Exact Mass356.34
IUPAC NameN-(2-amino-2-hydroxypentan-3-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC(CC)C(C)(N)O
InChIInChI=1S/C21H44N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24)23-19(5-2)21(3,22)25/h19,25H,4-18,22H2,1-3H3,(H,23,24)
InChIKeyQBOJZNISDDMMPK-UHFFFAOYSA-N
XLogP5.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 55.03
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-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide
CID 175534157
N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 87088598
N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide
CID 175181589
N-pentan-3-yldocosanamide
CID 123339332
N-(5-amino-4-hydroxy-5-methylhexan-3-yl)octadecanamide;phosphoric acid
CID 173356009
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride
CID 175045491
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-[(Z,2S,3R)-1,3-dihydroxy-3-methyloctadec-4-en-2-yl]dodecanamide
CID 11225695
tert-butyl (2R)-2-(nonanoylamino)propanoate
CID 81004296

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide?
The IUPAC name of N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide (CID 175534176) is N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide.
What is the SMILES notation for N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide?
The canonical SMILES for N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)NC(CC)C(C)(N)O.
What is the InChIKey of N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide?
The InChIKey is QBOJZNISDDMMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24)23-19(5-2)21(3,22)25/h19,25H,4-18,22H2,1-3H3,(H,23,24).
What are the key properties of N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide?
N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide has a molecular weight of 356.60 g/mol, XLogP of 5.03, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide is sourced from PubChem (CID 175534176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).