2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide

C24H29NO3 — CID 44562972

IUPAC2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide
SMILESCC1(CC(=O)NCc2ccc(-c3ccccc3)cc2)CC2(CCCCC2)OO1
InChIInChI=1S/C24H29NO3/c1-23(18-24(28-27-23)14-6-3-7-15-24)16-22(26)25-17-19-10-12-21(13-11-19)20-8-4-2-5-9-20/h2,4-5,8-13H,3,6-7,14-18H2,1H3,(H,25,26)
InChIKeyCEBOIAHQPQFNRQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.17
Rot. Bonds5

About 2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide

2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide (PubChem CID 44562972) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide
PubChem CID44562972
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide
SMILESCC1(CC(=O)NCc2ccc(-c3ccccc3)cc2)CC2(CCCCC2)OO1
InChIInChI=1S/C24H29NO3/c1-23(18-24(28-27-23)14-6-3-7-15-24)16-22(26)25-17-19-10-12-21(13-11-19)20-8-4-2-5-9-20/h2,4-5,8-13H,3,6-7,14-18H2,1H3,(H,25,26)
InChIKeyCEBOIAHQPQFNRQ-UHFFFAOYSA-N
XLogP5.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide (CID 44562972) is 2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide is CC1(CC(=O)NCc2ccc(-c3ccccc3)cc2)CC2(CCCCC2)OO1.
What is the InChIKey of 2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide?
The InChIKey is CEBOIAHQPQFNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-23(18-24(28-27-23)14-6-3-7-15-24)16-22(26)25-17-19-10-12-21(13-11-19)20-8-4-2-5-9-20/h2,4-5,8-13H,3,6-7,14-18H2,1H3,(H,25,26).
What are the key properties of 2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide?
2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-[(4-phenylphenyl)methyl]acetamide is sourced from PubChem (CID 44562972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).