2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide

C26H52N2O4 — CID 170040572

IUPAC2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide
SMILESCCCCCCCCOCC(=O)NCCCCCOCCCCCNC(=O)C(C)CCC
InChIInChI=1S/C26H52N2O4/c1-4-6-7-8-9-14-22-32-23-25(29)27-18-12-10-15-20-31-21-16-11-13-19-28-26(30)24(3)17-5-2/h24H,4-23H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyNZVBBMPXZBHZPX-UHFFFAOYSA-N
MW456.71 g/mol
LogP5.39
Rot. Bonds24

About 2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide

2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide (PubChem CID 170040572) has the molecular formula C26H52N2O4 and a molecular weight of 456.71 g/mol. Its IUPAC name is 2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide
PubChem CID170040572
Molecular FormulaC26H52N2O4
Molecular Weight456.71 g/mol
Exact Mass456.39
IUPAC Name2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide
SMILESCCCCCCCCOCC(=O)NCCCCCOCCCCCNC(=O)C(C)CCC
InChIInChI=1S/C26H52N2O4/c1-4-6-7-8-9-14-22-32-23-25(29)27-18-12-10-15-20-31-21-16-11-13-19-28-26(30)24(3)17-5-2/h24H,4-23H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyNZVBBMPXZBHZPX-UHFFFAOYSA-N
XLogP5.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.71
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide
CID 134582817
N-(2-hydroxyethyl)-2-(2-tridecoxyethoxy)acetamide
CID 100965697
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-methyl-N-nonyldecanamide
CID 141429494
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide
CID 170597970
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 145263476
N-[(5S)-5-methyl-6-oxoheptyl]-2-[2-[2-[[2-[2-(4-oxononoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 157081898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide?
The IUPAC name of 2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide (CID 170040572) is 2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide?
The canonical SMILES for 2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide is CCCCCCCCOCC(=O)NCCCCCOCCCCCNC(=O)C(C)CCC.
What is the InChIKey of 2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide?
The InChIKey is NZVBBMPXZBHZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O4/c1-4-6-7-8-9-14-22-32-23-25(29)27-18-12-10-15-20-31-21-16-11-13-19-28-26(30)24(3)17-5-2/h24H,4-23H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide?
2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide has a molecular weight of 456.71 g/mol, XLogP of 5.39, 24 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide is sourced from PubChem (CID 170040572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).