N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide

C14H26N2O2 — CID 83028302

IUPACN-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C14H26N2O2/c1-4-8-15-11-13(17)16-12-7-9-18-14(5-2,6-3)10-12/h4,12,15H,1,5-11H2,2-3H3,(H,16,17)
InChIKeyLLYHQOMXYVHBSD-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.62
Rot. Bonds7

About N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide

N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 83028302) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide
PubChem CID83028302
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C14H26N2O2/c1-4-8-15-11-13(17)16-12-7-9-18-14(5-2,6-3)10-12/h4,12,15H,1,5-11H2,2-3H3,(H,16,17)
InChIKeyLLYHQOMXYVHBSD-UHFFFAOYSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide (CID 83028302) is N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC1CCOC(CC)(CC)C1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is LLYHQOMXYVHBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-8-15-11-13(17)16-12-7-9-18-14(5-2,6-3)10-12/h4,12,15H,1,5-11H2,2-3H3,(H,16,17).
What are the key properties of N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide?
N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 83028302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).