N-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide

C22H44N2O3 — CID 87287946

IUPACN-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide
SMILESCCCCCCCCN(C)C(=O)COCC(=O)N(C)CCCCCCCC
InChIInChI=1S/C22H44N2O3/c1-5-7-9-11-13-15-17-23(3)21(25)19-27-20-22(26)24(4)18-16-14-12-10-8-6-2/h5-20H2,1-4H3
InChIKeyBQZNDIBVRLFRSD-UHFFFAOYSA-N
MW384.61 g/mol
LogP4.64
Rot. Bonds18

About N-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide

N-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide (PubChem CID 87287946) has the molecular formula C22H44N2O3 and a molecular weight of 384.61 g/mol. Its IUPAC name is N-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide
PubChem CID87287946
Molecular FormulaC22H44N2O3
Molecular Weight384.61 g/mol
Exact Mass384.34
IUPAC NameN-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide
SMILESCCCCCCCCN(C)C(=O)COCC(=O)N(C)CCCCCCCC
InChIInChI=1S/C22H44N2O3/c1-5-7-9-11-13-15-17-23(3)21(25)19-27-20-22(26)24(4)18-16-14-12-10-8-6-2/h5-20H2,1-4H3
InChIKeyBQZNDIBVRLFRSD-UHFFFAOYSA-N
XLogP4.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide?
The IUPAC name of N-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide (CID 87287946) is N-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide.
What is the SMILES notation for N-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide?
The canonical SMILES for N-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide is CCCCCCCCN(C)C(=O)COCC(=O)N(C)CCCCCCCC.
What is the InChIKey of N-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide?
The InChIKey is BQZNDIBVRLFRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O3/c1-5-7-9-11-13-15-17-23(3)21(25)19-27-20-22(26)24(4)18-16-14-12-10-8-6-2/h5-20H2,1-4H3.
What are the key properties of N-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide?
N-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide has a molecular weight of 384.61 g/mol, XLogP of 4.64, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[methyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide is sourced from PubChem (CID 87287946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).