2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide

C20H40N2O7 — CID 134582817

IUPAC2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide
SMILESCCCCOCCOCC(=O)NCCCCCOCCOCCOCC(=O)NC
InChIInChI=1S/C20H40N2O7/c1-3-4-9-25-13-15-29-18-20(24)22-8-6-5-7-10-26-11-12-27-14-16-28-17-19(23)21-2/h3-18H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZLWDVKMQBSOLGY-UHFFFAOYSA-N
MW420.55 g/mol
LogP0.90
Rot. Bonds22

About 2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide

2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide (PubChem CID 134582817) has the molecular formula C20H40N2O7 and a molecular weight of 420.55 g/mol. Its IUPAC name is 2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide
PubChem CID134582817
Molecular FormulaC20H40N2O7
Molecular Weight420.55 g/mol
Exact Mass420.28
IUPAC Name2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide
SMILESCCCCOCCOCC(=O)NCCCCCOCCOCCOCC(=O)NC
InChIInChI=1S/C20H40N2O7/c1-3-4-9-25-13-15-29-18-20(24)22-8-6-5-7-10-26-11-12-27-14-16-28-17-19(23)21-2/h3-18H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZLWDVKMQBSOLGY-UHFFFAOYSA-N
XLogP0.90
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-(2-hydroxyethyl)-2-(2-tridecoxyethoxy)acetamide
CID 100965697
2-(2-butoxyethoxy)-N-(2-hydroxyethyl)acetamide
CID 89471630
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-methylacetamide
CID 139325518
2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide
CID 170040572
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide?
The IUPAC name of 2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide (CID 134582817) is 2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide is CCCCOCCOCC(=O)NCCCCCOCCOCCOCC(=O)NC.
What is the InChIKey of 2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide?
The InChIKey is ZLWDVKMQBSOLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O7/c1-3-4-9-25-13-15-29-18-20(24)22-8-6-5-7-10-26-11-12-27-14-16-28-17-19(23)21-2/h3-18H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide?
2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide has a molecular weight of 420.55 g/mol, XLogP of 0.90, 22 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide is sourced from PubChem (CID 134582817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).