N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide

C30H62N2O — CID 175181589

IUPACN-(5-amino-4,5-dimethylhexan-3-yl)docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)C(C)C(C)(C)N
InChIInChI=1S/C30H62N2O/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(33)32-28(7-2)27(3)30(4,5)31/h27-28H,6-26,31H2,1-5H3,(H,32,33)
InChIKeyDFHUCKKHZQETQL-UHFFFAOYSA-N
MW466.84 g/mol
LogP9.08
Rot. Bonds24

About N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide

N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide (PubChem CID 175181589) has the molecular formula C30H62N2O and a molecular weight of 466.84 g/mol. Its IUPAC name is N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide.

Molecular Properties

Compound NameN-(5-amino-4,5-dimethylhexan-3-yl)docosanamide
PubChem CID175181589
Molecular FormulaC30H62N2O
Molecular Weight466.84 g/mol
Exact Mass466.49
IUPAC NameN-(5-amino-4,5-dimethylhexan-3-yl)docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)C(C)C(C)(C)N
InChIInChI=1S/C30H62N2O/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(33)32-28(7-2)27(3)30(4,5)31/h27-28H,6-26,31H2,1-5H3,(H,32,33)
InChIKeyDFHUCKKHZQETQL-UHFFFAOYSA-N
XLogP9.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.84
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-4-hydroxy-5-methylhexan-3-yl)octadecanamide;phosphoric acid
CID 173356009
N-(2-amino-2-hydroxypentan-3-yl)hexadecanamide
CID 175534176
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide
CID 175534161
N-pentan-3-yldocosanamide
CID 123339332
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
N-(1-bromo-3-methylbutan-2-yl)dodecanamide
CID 114316280
N-pentan-2-ylundecanamide
CID 173258559
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-(4-amino-4-hydroxyhexan-3-yl)hexadecanamide
CID 175534157

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide?
The IUPAC name of N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide (CID 175181589) is N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide.
What is the SMILES notation for N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide?
The canonical SMILES for N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)C(C)C(C)(C)N.
What is the InChIKey of N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide?
The InChIKey is DFHUCKKHZQETQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62N2O/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(33)32-28(7-2)27(3)30(4,5)31/h27-28H,6-26,31H2,1-5H3,(H,32,33).
What are the key properties of N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide?
N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide has a molecular weight of 466.84 g/mol, XLogP of 9.08, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4,5-dimethylhexan-3-yl)docosanamide is sourced from PubChem (CID 175181589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).