N-formyloctadecanamide

C19H37NO2 — CID 54418147

IUPACN-formyloctadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC=O
InChIInChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h18H,2-17H2,1H3,(H,20,21,22)
InChIKeyVYXCDKHHZKOGJJ-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.52
Rot. Bonds17

About N-formyloctadecanamide

N-formyloctadecanamide (PubChem CID 54418147) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is N-formyloctadecanamide.

Molecular Properties

Compound NameN-formyloctadecanamide
PubChem CID54418147
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC NameN-formyloctadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC=O
InChIInChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h18H,2-17H2,1H3,(H,20,21,22)
InChIKeyVYXCDKHHZKOGJJ-UHFFFAOYSA-N
XLogP5.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 21219286
N-iodooctanamide
CID 19040107
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
N-octanoyloctanamide;hydrobromide
CID 175059894
N-hydroxytridecanamide
CID 14122613
N-methylundecanamide
CID 23297450
N-hydroperoxynonanamide
CID 54468207
N,N'-bis[(E)-dodec-1-enyl]hexanediamide
CID 101279984
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092

Frequently Asked Questions

What is the IUPAC name of N-formyloctadecanamide?
The IUPAC name of N-formyloctadecanamide (CID 54418147) is N-formyloctadecanamide.
What is the SMILES notation for N-formyloctadecanamide?
The canonical SMILES for N-formyloctadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC=O.
What is the InChIKey of N-formyloctadecanamide?
The InChIKey is VYXCDKHHZKOGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h18H,2-17H2,1H3,(H,20,21,22).
What are the key properties of N-formyloctadecanamide?
N-formyloctadecanamide has a molecular weight of 311.51 g/mol, XLogP of 5.52, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyloctadecanamide is sourced from PubChem (CID 54418147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).