N-(10-formyloctadecyl)-N-methylacetamide

C22H43NO2 — CID 88522530

IUPACN-(10-formyloctadecyl)-N-methylacetamide
SMILESCCCCCCCCC(C=O)CCCCCCCCCN(C)C(C)=O
InChIInChI=1S/C22H43NO2/c1-4-5-6-7-11-14-17-22(20-24)18-15-12-9-8-10-13-16-19-23(3)21(2)25/h20,22H,4-19H2,1-3H3
InChIKeyYACVEDBDRGGQIG-UHFFFAOYSA-N
MW353.59 g/mol
LogP6.15
Rot. Bonds18

About N-(10-formyloctadecyl)-N-methylacetamide

N-(10-formyloctadecyl)-N-methylacetamide (PubChem CID 88522530) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is N-(10-formyloctadecyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(10-formyloctadecyl)-N-methylacetamide
PubChem CID88522530
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC NameN-(10-formyloctadecyl)-N-methylacetamide
SMILESCCCCCCCCC(C=O)CCCCCCCCCN(C)C(C)=O
InChIInChI=1S/C22H43NO2/c1-4-5-6-7-11-14-17-22(20-24)18-15-12-9-8-10-13-16-19-23(3)21(2)25/h20,22H,4-19H2,1-3H3
InChIKeyYACVEDBDRGGQIG-UHFFFAOYSA-N
XLogP6.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 56.15
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-(10-formyloctadecyl)-N-methylacetamide?
The IUPAC name of N-(10-formyloctadecyl)-N-methylacetamide (CID 88522530) is N-(10-formyloctadecyl)-N-methylacetamide.
What is the SMILES notation for N-(10-formyloctadecyl)-N-methylacetamide?
The canonical SMILES for N-(10-formyloctadecyl)-N-methylacetamide is CCCCCCCCC(C=O)CCCCCCCCCN(C)C(C)=O.
What is the InChIKey of N-(10-formyloctadecyl)-N-methylacetamide?
The InChIKey is YACVEDBDRGGQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO2/c1-4-5-6-7-11-14-17-22(20-24)18-15-12-9-8-10-13-16-19-23(3)21(2)25/h20,22H,4-19H2,1-3H3.
What are the key properties of N-(10-formyloctadecyl)-N-methylacetamide?
N-(10-formyloctadecyl)-N-methylacetamide has a molecular weight of 353.59 g/mol, XLogP of 6.15, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-formyloctadecyl)-N-methylacetamide is sourced from PubChem (CID 88522530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).