N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide

C17H23NO3 — CID 142907510

IUPACN-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide
SMILESO=CNC1COC2(CCCCCC2)OC1c1ccccc1
InChIInChI=1S/C17H23NO3/c19-13-18-15-12-20-17(10-6-1-2-7-11-17)21-16(15)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,1-2,6-7,10-12H2,(H,18,19)
InChIKeyYIVVHPKYMHDITN-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.94
Rot. Bonds3

About N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide

N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide (PubChem CID 142907510) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide.

Molecular Properties

Compound NameN-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide
PubChem CID142907510
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide
SMILESO=CNC1COC2(CCCCCC2)OC1c1ccccc1
InChIInChI=1S/C17H23NO3/c19-13-18-15-12-20-17(10-6-1-2-7-11-17)21-16(15)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,1-2,6-7,10-12H2,(H,18,19)
InChIKeyYIVVHPKYMHDITN-UHFFFAOYSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide?
The IUPAC name of N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide (CID 142907510) is N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide.
What is the SMILES notation for N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide?
The canonical SMILES for N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide is O=CNC1COC2(CCCCCC2)OC1c1ccccc1.
What is the InChIKey of N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide?
The InChIKey is YIVVHPKYMHDITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-13-18-15-12-20-17(10-6-1-2-7-11-17)21-16(15)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,1-2,6-7,10-12H2,(H,18,19).
What are the key properties of N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide?
N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide has a molecular weight of 289.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,5-dioxaspiro[5.6]dodecan-3-yl)formamide is sourced from PubChem (CID 142907510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).