N-(2-methylpropyl)hexacosanamide

C30H61NO — CID 14162529

IUPACN-(2-methylpropyl)hexacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(C)C
InChIInChI=1S/C30H61NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(32)31-28-29(2)3/h29H,4-28H2,1-3H3,(H,31,32)
InChIKeyYFTBALWTXJWGFU-UHFFFAOYSA-N
MW451.82 g/mol
LogP10.14
Rot. Bonds26

About N-(2-methylpropyl)hexacosanamide

N-(2-methylpropyl)hexacosanamide (PubChem CID 14162529) has the molecular formula C30H61NO and a molecular weight of 451.82 g/mol. Its IUPAC name is N-(2-methylpropyl)hexacosanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)hexacosanamide
PubChem CID14162529
Molecular FormulaC30H61NO
Molecular Weight451.82 g/mol
Exact Mass451.48
IUPAC NameN-(2-methylpropyl)hexacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(C)C
InChIInChI=1S/C30H61NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(32)31-28-29(2)3/h29H,4-28H2,1-3H3,(H,31,32)
InChIKeyYFTBALWTXJWGFU-UHFFFAOYSA-N
XLogP10.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.82
LogP ≤ 510.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)hexacosanamide?
The IUPAC name of N-(2-methylpropyl)hexacosanamide (CID 14162529) is N-(2-methylpropyl)hexacosanamide.
What is the SMILES notation for N-(2-methylpropyl)hexacosanamide?
The canonical SMILES for N-(2-methylpropyl)hexacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)hexacosanamide?
The InChIKey is YFTBALWTXJWGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(32)31-28-29(2)3/h29H,4-28H2,1-3H3,(H,31,32).
What are the key properties of N-(2-methylpropyl)hexacosanamide?
N-(2-methylpropyl)hexacosanamide has a molecular weight of 451.82 g/mol, XLogP of 10.14, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)hexacosanamide is sourced from PubChem (CID 14162529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).