N-heptyl-2-methoxy-N-octylacetamide

C18H37NO2 — CID 533185

IUPACN-heptyl-2-methoxy-N-octylacetamide
SMILESCCCCCCCCN(CCCCCCC)C(=O)COC
InChIInChI=1S/C18H37NO2/c1-4-6-8-10-12-14-16-19(18(20)17-21-3)15-13-11-9-7-5-2/h4-17H2,1-3H3
InChIKeyJDPDRTDNKMSUAA-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.79
Rot. Bonds15

About N-heptyl-2-methoxy-N-octylacetamide

N-heptyl-2-methoxy-N-octylacetamide (PubChem CID 533185) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is N-heptyl-2-methoxy-N-octylacetamide.

Molecular Properties

Compound NameN-heptyl-2-methoxy-N-octylacetamide
PubChem CID533185
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC NameN-heptyl-2-methoxy-N-octylacetamide
SMILESCCCCCCCCN(CCCCCCC)C(=O)COC
InChIInChI=1S/C18H37NO2/c1-4-6-8-10-12-14-16-19(18(20)17-21-3)15-13-11-9-7-5-2/h4-17H2,1-3H3
InChIKeyJDPDRTDNKMSUAA-UHFFFAOYSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-methoxy-N-octylacetamide?
The IUPAC name of N-heptyl-2-methoxy-N-octylacetamide (CID 533185) is N-heptyl-2-methoxy-N-octylacetamide.
What is the SMILES notation for N-heptyl-2-methoxy-N-octylacetamide?
The canonical SMILES for N-heptyl-2-methoxy-N-octylacetamide is CCCCCCCCN(CCCCCCC)C(=O)COC.
What is the InChIKey of N-heptyl-2-methoxy-N-octylacetamide?
The InChIKey is JDPDRTDNKMSUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-6-8-10-12-14-16-19(18(20)17-21-3)15-13-11-9-7-5-2/h4-17H2,1-3H3.
What are the key properties of N-heptyl-2-methoxy-N-octylacetamide?
N-heptyl-2-methoxy-N-octylacetamide has a molecular weight of 299.50 g/mol, XLogP of 4.79, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-methoxy-N-octylacetamide is sourced from PubChem (CID 533185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).