2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide

C30H59NO7 — CID 59126084

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide
SMILESCCCCCCCCCCCCCCCCCCOC1(C)OCC(NC(=O)COCCOCCOC)CO1
InChIInChI=1S/C30H59NO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36-30(2)37-25-28(26-38-30)31-29(32)27-35-24-23-34-22-21-33-3/h28H,4-27H2,1-3H3,(H,31,32)
InChIKeyGRGKHXGPGOCTSN-UHFFFAOYSA-N
MW545.80 g/mol
LogP6.15
Rot. Bonds27

About 2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide

2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide (PubChem CID 59126084) has the molecular formula C30H59NO7 and a molecular weight of 545.80 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide
PubChem CID59126084
Molecular FormulaC30H59NO7
Molecular Weight545.80 g/mol
Exact Mass545.43
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide
SMILESCCCCCCCCCCCCCCCCCCOC1(C)OCC(NC(=O)COCCOCCOC)CO1
InChIInChI=1S/C30H59NO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36-30(2)37-25-28(26-38-30)31-29(32)27-35-24-23-34-22-21-33-3/h28H,4-27H2,1-3H3,(H,31,32)
InChIKeyGRGKHXGPGOCTSN-UHFFFAOYSA-N
XLogP6.15
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds27
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.80
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-pentoxy-N-(thietan-3-yl)acetamide
CID 126832129
N-(4-aminocyclohexyl)-2-pentoxyacetamide
CID 119474713
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
N-(3-methoxycyclopentyl)-2-(2-methoxyethoxy)acetamide
CID 103083115
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide
CID 103719047
heptyl 2-(2-methoxyethoxy)acetate
CID 18318708
1,2-dimethoxyethane;1-hexoxyhexane
CID 174800290
methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide (CID 59126084) is 2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide is CCCCCCCCCCCCCCCCCCOC1(C)OCC(NC(=O)COCCOCCOC)CO1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide?
The InChIKey is GRGKHXGPGOCTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59NO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36-30(2)37-25-28(26-38-30)31-29(32)27-35-24-23-34-22-21-33-3/h28H,4-27H2,1-3H3,(H,31,32).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide?
2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide has a molecular weight of 545.80 g/mol, XLogP of 6.15, 27 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-(2-methyl-2-octadecoxy-1,3-dioxan-5-yl)acetamide is sourced from PubChem (CID 59126084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).