2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide

C18H25NO3 — CID 86002440

IUPAC2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CC1CCCCC12OCCO2)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-14(15-7-3-2-4-8-15)19-17(20)13-16-9-5-6-10-18(16)21-11-12-22-18/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,19,20)
InChIKeyAEAGVZHOWOARSS-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.19
Rot. Bonds4

About 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide

2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide (PubChem CID 86002440) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide
PubChem CID86002440
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CC1CCCCC12OCCO2)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-14(15-7-3-2-4-8-15)19-17(20)13-16-9-5-6-10-18(16)21-11-12-22-18/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,19,20)
InChIKeyAEAGVZHOWOARSS-UHFFFAOYSA-N
XLogP3.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide (CID 86002440) is 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)CC1CCCCC12OCCO2)c1ccccc1.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is AEAGVZHOWOARSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(15-7-3-2-4-8-15)19-17(20)13-16-9-5-6-10-18(16)21-11-12-22-18/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,19,20).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide?
2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-6-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 86002440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).