27-amino-N-hydroxyheptacosanamide

C27H56N2O2 — CID 87684790

IUPAC27-amino-N-hydroxyheptacosanamide
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NO
InChIInChI=1S/C27H56N2O2/c28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27(30)29-31/h31H,1-26,28H2,(H,29,30)
InChIKeyNFKPTXYPSVNSJT-UHFFFAOYSA-N
MW440.76 g/mol
LogP8.20
Rot. Bonds26

About 27-amino-N-hydroxyheptacosanamide

27-amino-N-hydroxyheptacosanamide (PubChem CID 87684790) has the molecular formula C27H56N2O2 and a molecular weight of 440.76 g/mol. Its IUPAC name is 27-amino-N-hydroxyheptacosanamide.

Molecular Properties

Compound Name27-amino-N-hydroxyheptacosanamide
PubChem CID87684790
Molecular FormulaC27H56N2O2
Molecular Weight440.76 g/mol
Exact Mass440.43
IUPAC Name27-amino-N-hydroxyheptacosanamide
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NO
InChIInChI=1S/C27H56N2O2/c28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27(30)29-31/h31H,1-26,28H2,(H,29,30)
InChIKeyNFKPTXYPSVNSJT-UHFFFAOYSA-N
XLogP8.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.76
LogP ≤ 58.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

20-amino-N-hydroxyicosanamide
CID 87686702
14-amino-N-hydroxytetradecanamide
CID 87686192
ethane;N'-hydroxyoctanediamide
CID 144754010
20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
N,16-dihydroxyhexadecanamide
CID 87686064
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
14-chloro-N-hydroxytetradecanamide
CID 87682446
N-hydroxytridecanamide
CID 14122613
N-hydroxy-26-sulfanylhexacosanamide
CID 87681311

Frequently Asked Questions

What is the IUPAC name of 27-amino-N-hydroxyheptacosanamide?
The IUPAC name of 27-amino-N-hydroxyheptacosanamide (CID 87684790) is 27-amino-N-hydroxyheptacosanamide.
What is the SMILES notation for 27-amino-N-hydroxyheptacosanamide?
The canonical SMILES for 27-amino-N-hydroxyheptacosanamide is NCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NO.
What is the InChIKey of 27-amino-N-hydroxyheptacosanamide?
The InChIKey is NFKPTXYPSVNSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56N2O2/c28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27(30)29-31/h31H,1-26,28H2,(H,29,30).
What are the key properties of 27-amino-N-hydroxyheptacosanamide?
27-amino-N-hydroxyheptacosanamide has a molecular weight of 440.76 g/mol, XLogP of 8.20, 26 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 27-amino-N-hydroxyheptacosanamide is sourced from PubChem (CID 87684790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).