N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide

C17H23NO4 — CID 155106776

IUPACN-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide
SMILESCOC1CCC2(CC1N(C=O)Cc1ccccc1)OCCO2
InChIInChI=1S/C17H23NO4/c1-20-16-7-8-17(21-9-10-22-17)11-15(16)18(13-19)12-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3
InChIKeyFCIKSCVWUHUHQA-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.96
Rot. Bonds5

About N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide

N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide (PubChem CID 155106776) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide.

Molecular Properties

Compound NameN-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide
PubChem CID155106776
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC NameN-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide
SMILESCOC1CCC2(CC1N(C=O)Cc1ccccc1)OCCO2
InChIInChI=1S/C17H23NO4/c1-20-16-7-8-17(21-9-10-22-17)11-15(16)18(13-19)12-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3
InChIKeyFCIKSCVWUHUHQA-UHFFFAOYSA-N
XLogP1.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide?
The IUPAC name of N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide (CID 155106776) is N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide.
What is the SMILES notation for N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide?
The canonical SMILES for N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide is COC1CCC2(CC1N(C=O)Cc1ccccc1)OCCO2.
What is the InChIKey of N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide?
The InChIKey is FCIKSCVWUHUHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-20-16-7-8-17(21-9-10-22-17)11-15(16)18(13-19)12-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3.
What are the key properties of N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide?
N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide has a molecular weight of 305.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(8-methoxy-1,4-dioxaspiro[4.5]decan-7-yl)formamide is sourced from PubChem (CID 155106776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).