2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide

C18H34N2O4 — CID 167460512

IUPAC2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide
SMILESC=CCCCNC(=O)COCCOCCN(C)C(=C)CCCCO
InChIInChI=1S/C18H34N2O4/c1-4-5-7-10-19-18(22)16-24-15-14-23-13-11-20(3)17(2)9-6-8-12-21/h4,21H,1-2,5-16H2,3H3,(H,19,22)
InChIKeyOFCPWZXNYOQMHT-UHFFFAOYSA-N
MW342.48 g/mol
LogP1.71
Rot. Bonds17

About 2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide

2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide (PubChem CID 167460512) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide.

Molecular Properties

Compound Name2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide
PubChem CID167460512
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Name2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide
SMILESC=CCCCNC(=O)COCCOCCN(C)C(=C)CCCCO
InChIInChI=1S/C18H34N2O4/c1-4-5-7-10-19-18(22)16-24-15-14-23-13-11-20(3)17(2)9-6-8-12-21/h4,21H,1-2,5-16H2,3H3,(H,19,22)
InChIKeyOFCPWZXNYOQMHT-UHFFFAOYSA-N
XLogP1.71
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide
CID 146625820
N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
CID 166959227
N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide
CID 167120593
5-[2-[2-[2-[2-[2-[2-(5-hydroxypentylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 155280004
N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide
CID 89140505
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 123650332
9-hydroxy-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]nonanamide;vanadium
CID 155741032
N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
CID 151761639
N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide
CID 71392102
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729
2-(2-methoxyethoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 103614127

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide?
The IUPAC name of 2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide (CID 167460512) is 2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide.
What is the SMILES notation for 2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide?
The canonical SMILES for 2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide is C=CCCCNC(=O)COCCOCCN(C)C(=C)CCCCO.
What is the InChIKey of 2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide?
The InChIKey is OFCPWZXNYOQMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-4-5-7-10-19-18(22)16-24-15-14-23-13-11-20(3)17(2)9-6-8-12-21/h4,21H,1-2,5-16H2,3H3,(H,19,22).
What are the key properties of 2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide?
2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide has a molecular weight of 342.48 g/mol, XLogP of 1.71, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[6-hydroxyhex-1-en-2-yl(methyl)amino]ethoxy]ethoxy]-N-pent-4-enylacetamide is sourced from PubChem (CID 167460512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).