3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide

C21H45N3O5 — CID 167270871

IUPAC3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide
SMILESCCN(C)CCCN(C)C(=O)CCOCCOCCOCCOCCN(C)CC
InChIInChI=1S/C21H45N3O5/c1-6-22(3)10-8-11-24(5)21(25)9-13-26-15-17-28-19-20-29-18-16-27-14-12-23(4)7-2/h6-20H2,1-5H3
InChIKeyYDKCYTKMMLFFBW-UHFFFAOYSA-N
MW419.61 g/mol
LogP1.19
Rot. Bonds21

About 3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide

3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide (PubChem CID 167270871) has the molecular formula C21H45N3O5 and a molecular weight of 419.61 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide
PubChem CID167270871
Molecular FormulaC21H45N3O5
Molecular Weight419.61 g/mol
Exact Mass419.34
IUPAC Name3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide
SMILESCCN(C)CCCN(C)C(=O)CCOCCOCCOCCOCCN(C)CC
InChIInChI=1S/C21H45N3O5/c1-6-22(3)10-8-11-24(5)21(25)9-13-26-15-17-28-19-20-29-18-16-27-14-12-23(4)7-2/h6-20H2,1-5H3
InChIKeyYDKCYTKMMLFFBW-UHFFFAOYSA-N
XLogP1.19
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(dimethylamino)-N-[3-[ethyl(methyl)amino]propyl]-N-methylheptanamide
CID 168959154
3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide
CID 167270132
N-ethyl-N-methyl-3-propoxypropanamide
CID 87235290
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617
methyl 4-[3-ethoxypropanoyl(methyl)amino]butanoate
CID 55210221
N-(3-aminopropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43254229
N-butyl-3-(3,3-dimethylbutoxy)-N-methylpropanamide;ethane
CID 155713628
4-[2-[2-[2-[3-carboxypropanoyl(methyl)amino]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
CID 125495900
N-ethyl-3-hexoxy-N-methylpropanamide
CID 87235746
1-ethyl-3-[3-[ethyl(methyl)amino]propyl]-1,3-dimethylurea
CID 160936792
3-(2-aminoethoxy)-N-ethyl-N-methylpropanamide
CID 162436526
1-[2-[2-[methyl-[2-[2-(3-oxooctoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]octan-3-one
CID 163930166

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide?
The IUPAC name of 3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide (CID 167270871) is 3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide?
The canonical SMILES for 3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide is CCN(C)CCCN(C)C(=O)CCOCCOCCOCCOCCN(C)CC.
What is the InChIKey of 3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide?
The InChIKey is YDKCYTKMMLFFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3O5/c1-6-22(3)10-8-11-24(5)21(25)9-13-26-15-17-28-19-20-29-18-16-27-14-12-23(4)7-2/h6-20H2,1-5H3.
What are the key properties of 3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide?
3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide has a molecular weight of 419.61 g/mol, XLogP of 1.19, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide is sourced from PubChem (CID 167270871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).