N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide

C20H41NO4 — CID 138727601

IUPACN-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
SMILESCC(C)CCCCCOCCOCCCCCNC(=O)COC(C)C
InChIInChI=1S/C20H41NO4/c1-18(2)11-7-5-9-13-23-15-16-24-14-10-6-8-12-21-20(22)17-25-19(3)4/h18-19H,5-17H2,1-4H3,(H,21,22)
InChIKeyFHPWPUMCYJUYEK-UHFFFAOYSA-N
MW359.55 g/mol
LogP3.95
Rot. Bonds18

About N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide

N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide (PubChem CID 138727601) has the molecular formula C20H41NO4 and a molecular weight of 359.55 g/mol. Its IUPAC name is N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
PubChem CID138727601
Molecular FormulaC20H41NO4
Molecular Weight359.55 g/mol
Exact Mass359.30
IUPAC NameN-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
SMILESCC(C)CCCCCOCCOCCCCCNC(=O)COC(C)C
InChIInChI=1S/C20H41NO4/c1-18(2)11-7-5-9-13-23-15-16-24-14-10-6-8-12-21-20(22)17-25-19(3)4/h18-19H,5-17H2,1-4H3,(H,21,22)
InChIKeyFHPWPUMCYJUYEK-UHFFFAOYSA-N
XLogP3.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide
CID 165106125
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
N-[8-(methylamino)octyl]-2-propan-2-yloxyacetamide
CID 154671213
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
N-[5-[2-[5-(2-fluoro-3-formamidopropoxy)pentoxy]ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 157048797
2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine
CID 165106432
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
CID 157048781

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide (CID 138727601) is N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide is CC(C)CCCCCOCCOCCCCCNC(=O)COC(C)C.
What is the InChIKey of N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide?
The InChIKey is FHPWPUMCYJUYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO4/c1-18(2)11-7-5-9-13-23-15-16-24-14-10-6-8-12-21-20(22)17-25-19(3)4/h18-19H,5-17H2,1-4H3,(H,21,22).
What are the key properties of N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide?
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide has a molecular weight of 359.55 g/mol, XLogP of 3.95, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 138727601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).