N-butan-2-ylhexacosanamide

C30H61NO — CID 163047877

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

About N-butan-2-ylhexacosanamide

N-butan-2-ylhexacosanamide (PubChem CID 163047877) has the molecular formula C30H61NO and a molecular weight of 451.82 g/mol. Its IUPAC name is N-butan-2-ylhexacosanamide.

Molecular Properties

Compound NameN-butan-2-ylhexacosanamide
PubChem CID163047877
Molecular FormulaC30H61NO
Molecular Weight451.82 g/mol
Exact Mass451.48
IUPAC NameN-butan-2-ylhexacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(C)CC
InChIInChI=1S/C30H61NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30(32)31-29(3)5-2/h29H,4-28H2,1-3H3,(H,31,32)
InChIKeyXANRESOMAOULIU-UHFFFAOYSA-N
XLogP10.28
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 ≤ 510.28
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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Related Compounds

N-butan-2-ylnonanamide
CID 4188803
N-pentan-2-ylundecanamide
CID 173258559
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
3-(heptanoylamino)butanoic acid
CID 43360958
N-pentan-3-yldocosanamide
CID 123339332
N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
6-acetamido-N-butan-2-ylhexanamide
CID 60652726
N-(6-aminohexan-2-yl)octanamide
CID 123172105

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylhexacosanamide?
The IUPAC name of N-butan-2-ylhexacosanamide (CID 163047877) is N-butan-2-ylhexacosanamide.
What is the SMILES notation for N-butan-2-ylhexacosanamide?
The canonical SMILES for N-butan-2-ylhexacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-ylhexacosanamide?
The InChIKey is XANRESOMAOULIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30(32)31-29(3)5-2/h29H,4-28H2,1-3H3,(H,31,32).
What are the key properties of N-butan-2-ylhexacosanamide?
N-butan-2-ylhexacosanamide has a molecular weight of 451.82 g/mol, XLogP of 10.28, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylhexacosanamide is sourced from PubChem (CID 163047877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).