N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide

C23H42N2O4 — CID 59383604

IUPACN-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide
SMILESCCC1OC(NC(=O)CC(=O)NC2C(CC)OC(C)C(C)C2C)C(C)C(C)C1C
InChIInChI=1S/C23H42N2O4/c1-9-18-14(5)12(3)16(7)23(29-18)25-21(27)11-20(26)24-22-15(6)13(4)17(8)28-19(22)10-2/h12-19,22-23H,9-11H2,1-8H3,(H,24,26)(H,25,27)
InChIKeyVNBXNUNLJSRHII-UHFFFAOYSA-N
MW410.60 g/mol
LogP3.49
Rot. Bonds6

About N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide

N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide (PubChem CID 59383604) has the molecular formula C23H42N2O4 and a molecular weight of 410.60 g/mol. Its IUPAC name is N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide.

Molecular Properties

Compound NameN-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide
PubChem CID59383604
Molecular FormulaC23H42N2O4
Molecular Weight410.60 g/mol
Exact Mass410.31
IUPAC NameN-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide
SMILESCCC1OC(NC(=O)CC(=O)NC2C(CC)OC(C)C(C)C2C)C(C)C(C)C1C
InChIInChI=1S/C23H42N2O4/c1-9-18-14(5)12(3)16(7)23(29-18)25-21(27)11-20(26)24-22-15(6)13(4)17(8)28-19(22)10-2/h12-19,22-23H,9-11H2,1-8H3,(H,24,26)(H,25,27)
InChIKeyVNBXNUNLJSRHII-UHFFFAOYSA-N
XLogP3.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide?
The IUPAC name of N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide (CID 59383604) is N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide.
What is the SMILES notation for N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide?
The canonical SMILES for N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide is CCC1OC(NC(=O)CC(=O)NC2C(CC)OC(C)C(C)C2C)C(C)C(C)C1C.
What is the InChIKey of N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide?
The InChIKey is VNBXNUNLJSRHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O4/c1-9-18-14(5)12(3)16(7)23(29-18)25-21(27)11-20(26)24-22-15(6)13(4)17(8)28-19(22)10-2/h12-19,22-23H,9-11H2,1-8H3,(H,24,26)(H,25,27).
What are the key properties of N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide?
N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide has a molecular weight of 410.60 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4,5,6-trimethyloxan-3-yl)-N'-(6-ethyl-3,4,5-trimethyloxan-2-yl)propanediamide is sourced from PubChem (CID 59383604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).