3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide

C20H42N2O5 — CID 167270132

IUPAC3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide
SMILESCC(C)CCCN(C)C(=O)CCOCCOCCOCCOCCN(C)C
InChIInChI=1S/C20H42N2O5/c1-19(2)7-6-9-22(5)20(23)8-11-24-13-15-26-17-18-27-16-14-25-12-10-21(3)4/h19H,6-18H2,1-5H3
InChIKeyDWIOOIGUQQSFNZ-UHFFFAOYSA-N
MW390.57 g/mol
LogP1.90
Rot. Bonds19

About 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide

3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide (PubChem CID 167270132) has the molecular formula C20H42N2O5 and a molecular weight of 390.57 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide
PubChem CID167270132
Molecular FormulaC20H42N2O5
Molecular Weight390.57 g/mol
Exact Mass390.31
IUPAC Name3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide
SMILESCC(C)CCCN(C)C(=O)CCOCCOCCOCCOCCN(C)C
InChIInChI=1S/C20H42N2O5/c1-19(2)7-6-9-22(5)20(23)8-11-24-13-15-26-17-18-27-16-14-25-12-10-21(3)4/h19H,6-18H2,1-5H3
InChIKeyDWIOOIGUQQSFNZ-UHFFFAOYSA-N
XLogP1.90
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43254229
3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide
CID 167270871
N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide
CID 23377103
N,N'-dimethyl-N'-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3,7,11,15-tetramethylhexadecyl)butanediamide
CID 59900032
N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide
CID 118260688
N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide
CID 115167449
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N-methyl-3-[2-(3-methylbutoxy)ethoxy]-N-[2-[methyl-[3-(5-oxohexan-2-yldisulfanyl)propanoyl]amino]ethyl]propanamide
CID 170451973
4-[2-[2-[2-[3-carboxypropanoyl(methyl)amino]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
CID 125495900
2-methyl-4-[methyl(4-methylpentyl)amino]-4-oxobutanoic acid
CID 115165193
N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide
CID 177260633

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide?
The IUPAC name of 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide (CID 167270132) is 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide.
What is the SMILES notation for 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide?
The canonical SMILES for 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide is CC(C)CCCN(C)C(=O)CCOCCOCCOCCOCCN(C)C.
What is the InChIKey of 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide?
The InChIKey is DWIOOIGUQQSFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O5/c1-19(2)7-6-9-22(5)20(23)8-11-24-13-15-26-17-18-27-16-14-25-12-10-21(3)4/h19H,6-18H2,1-5H3.
What are the key properties of 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide?
3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide has a molecular weight of 390.57 g/mol, XLogP of 1.90, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide is sourced from PubChem (CID 167270132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).