2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide

C20H28N2O4 — CID 146472717

IUPAC2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide
SMILESCC(C)=CCCC(C)/C=C/c1ccc(OCC(N)=O)cc1OCC(N)=O
InChIInChI=1S/C20H28N2O4/c1-14(2)5-4-6-15(3)7-8-16-9-10-17(25-12-19(21)23)11-18(16)26-13-20(22)24/h5,7-11,15H,4,6,12-13H2,1-3H3,(H2,21,23)(H2,22,24)/b8-7+
InChIKeySBSBASPANQBEOH-BQYQJAHWSA-N
MW360.45 g/mol
LogP2.81
Rot. Bonds11

About 2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide

2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide (PubChem CID 146472717) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide
PubChem CID146472717
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide
SMILESCC(C)=CCCC(C)/C=C/c1ccc(OCC(N)=O)cc1OCC(N)=O
InChIInChI=1S/C20H28N2O4/c1-14(2)5-4-6-15(3)7-8-16-9-10-17(25-12-19(21)23)11-18(16)26-13-20(22)24/h5,7-11,15H,4,6,12-13H2,1-3H3,(H2,21,23)(H2,22,24)/b8-7+
InChIKeySBSBASPANQBEOH-BQYQJAHWSA-N
XLogP2.81
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide?
The IUPAC name of 2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide (CID 146472717) is 2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide is CC(C)=CCCC(C)/C=C/c1ccc(OCC(N)=O)cc1OCC(N)=O.
What is the InChIKey of 2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide?
The InChIKey is SBSBASPANQBEOH-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-14(2)5-4-6-15(3)7-8-16-9-10-17(25-12-19(21)23)11-18(16)26-13-20(22)24/h5,7-11,15H,4,6,12-13H2,1-3H3,(H2,21,23)(H2,22,24)/b8-7+.
What are the key properties of 2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide?
2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide has a molecular weight of 360.45 g/mol, XLogP of 2.81, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide is sourced from PubChem (CID 146472717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).