2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide

C16H20ClNO3 — CID 18583914

IUPAC2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1COC2(CCCC2)O1
InChIInChI=1S/C16H20ClNO3/c17-13-5-3-12(4-6-13)9-15(19)18-10-14-11-20-16(21-14)7-1-2-8-16/h3-6,14H,1-2,7-11H2,(H,18,19)
InChIKeyAPUFKZLSSCIGAM-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide

2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide (PubChem CID 18583914) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide
PubChem CID18583914
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1COC2(CCCC2)O1
InChIInChI=1S/C16H20ClNO3/c17-13-5-3-12(4-6-13)9-15(19)18-10-14-11-20-16(21-14)7-1-2-8-16/h3-6,14H,1-2,7-11H2,(H,18,19)
InChIKeyAPUFKZLSSCIGAM-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide (CID 18583914) is 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCC1COC2(CCCC2)O1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide?
The InChIKey is APUFKZLSSCIGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-13-5-3-12(4-6-13)9-15(19)18-10-14-11-20-16(21-14)7-1-2-8-16/h3-6,14H,1-2,7-11H2,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide?
2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide has a molecular weight of 309.79 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)acetamide is sourced from PubChem (CID 18583914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).