2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide

C24H36N2O4 — CID 122690090

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide
SMILESCOCCOCCOCC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C)CC3
InChIInChI=1S/C24H36N2O4/c1-26-10-9-24-8-4-3-5-20(24)22(26)15-18-6-7-19(16-21(18)24)25-23(27)17-30-14-13-29-12-11-28-2/h6-7,16,20,22H,3-5,8-15,17H2,1-2H3,(H,25,27)/t20-,22+,24+/m0/s1
InChIKeyYLKHAAVXMAEWDZ-BGWNEDDSSA-N
MW416.56 g/mol
LogP2.99
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide

2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide (PubChem CID 122690090) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide
PubChem CID122690090
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide
SMILESCOCCOCCOCC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C)CC3
InChIInChI=1S/C24H36N2O4/c1-26-10-9-24-8-4-3-5-20(24)22(26)15-18-6-7-19(16-21(18)24)25-23(27)17-30-14-13-29-12-11-28-2/h6-7,16,20,22H,3-5,8-15,17H2,1-2H3,(H,25,27)/t20-,22+,24+/m0/s1
InChIKeyYLKHAAVXMAEWDZ-BGWNEDDSSA-N
XLogP2.99
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide (CID 122690090) is 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide is COCCOCCOCC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C)CC3.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide?
The InChIKey is YLKHAAVXMAEWDZ-BGWNEDDSSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-26-10-9-24-8-4-3-5-20(24)22(26)15-18-6-7-19(16-21(18)24)25-23(27)17-30-14-13-29-12-11-28-2/h6-7,16,20,22H,3-5,8-15,17H2,1-2H3,(H,25,27)/t20-,22+,24+/m0/s1.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide?
2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide has a molecular weight of 416.56 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetamide is sourced from PubChem (CID 122690090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).