N-methylheptacosanamide

C28H57NO — CID 18175889

IUPACN-methylheptacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC
InChIInChI=1S/C28H57NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(30)29-2/h3-27H2,1-2H3,(H,29,30)
InChIKeyVYOJBVCTFZIPEH-UHFFFAOYSA-N
MW423.77 g/mol
LogP9.50
Rot. Bonds25

About N-methylheptacosanamide

N-methylheptacosanamide (PubChem CID 18175889) has the molecular formula C28H57NO and a molecular weight of 423.77 g/mol. Its IUPAC name is N-methylheptacosanamide.

Molecular Properties

Compound NameN-methylheptacosanamide
PubChem CID18175889
Molecular FormulaC28H57NO
Molecular Weight423.77 g/mol
Exact Mass423.44
IUPAC NameN-methylheptacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC
InChIInChI=1S/C28H57NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(30)29-2/h3-27H2,1-2H3,(H,29,30)
InChIKeyVYOJBVCTFZIPEH-UHFFFAOYSA-N
XLogP9.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.77
LogP ≤ 59.50
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-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
ethane;N-methyltetradecanamide
CID 153349961
N,N'-dimethylheptanediamide
CID 15166696
N,N-dimethylhexanamide;N-methylhexanamide
CID 90794993
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-decanoyldecanamide
CID 87914075
5-hydroxy-N-methylundecanamide
CID 12996608
(Z)-N-methyldec-4-enamide
CID 151338477
N-octanoyloctanamide;hydrobromide
CID 175059894
N-hydroxytridecanamide
CID 14122613
(2S)-2-(hexadecanoylamino)-5-(methylamino)-5-oxopentanoic acid
CID 89136791

Frequently Asked Questions

What is the IUPAC name of N-methylheptacosanamide?
The IUPAC name of N-methylheptacosanamide (CID 18175889) is N-methylheptacosanamide.
What is the SMILES notation for N-methylheptacosanamide?
The canonical SMILES for N-methylheptacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC.
What is the InChIKey of N-methylheptacosanamide?
The InChIKey is VYOJBVCTFZIPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(30)29-2/h3-27H2,1-2H3,(H,29,30).
What are the key properties of N-methylheptacosanamide?
N-methylheptacosanamide has a molecular weight of 423.77 g/mol, XLogP of 9.50, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylheptacosanamide is sourced from PubChem (CID 18175889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).