2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide

C16H30N2O3 — CID 83036427

IUPAC2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide
SMILESCCC1(CC)CC(NCC(=O)NC2CCOCC2)CCO1
InChIInChI=1S/C16H30N2O3/c1-3-16(4-2)11-14(7-10-21-16)17-12-15(19)18-13-5-8-20-9-6-13/h13-14,17H,3-12H2,1-2H3,(H,18,19)
InChIKeyPKDRZJKMJOIFRZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.61
Rot. Bonds6

About 2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide

2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide (PubChem CID 83036427) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide
PubChem CID83036427
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide
SMILESCCC1(CC)CC(NCC(=O)NC2CCOCC2)CCO1
InChIInChI=1S/C16H30N2O3/c1-3-16(4-2)11-14(7-10-21-16)17-12-15(19)18-13-5-8-20-9-6-13/h13-14,17H,3-12H2,1-2H3,(H,18,19)
InChIKeyPKDRZJKMJOIFRZ-UHFFFAOYSA-N
XLogP1.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide (CID 83036427) is 2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide is CCC1(CC)CC(NCC(=O)NC2CCOCC2)CCO1.
What is the InChIKey of 2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide?
The InChIKey is PKDRZJKMJOIFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-16(4-2)11-14(7-10-21-16)17-12-15(19)18-13-5-8-20-9-6-13/h13-14,17H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide?
2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide has a molecular weight of 298.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 83036427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).