N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide

C17H23NO3 — CID 79118080

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H23NO3/c1-13-5-3-4-6-15(13)16(19)18(2)14-7-9-17(10-8-14)20-11-12-21-17/h3-6,14H,7-12H2,1-2H3
InChIKeyDTGZKXSZIMFWJI-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.75
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide (PubChem CID 79118080) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide
PubChem CID79118080
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H23NO3/c1-13-5-3-4-6-15(13)16(19)18(2)14-7-9-17(10-8-14)20-11-12-21-17/h3-6,14H,7-12H2,1-2H3
InChIKeyDTGZKXSZIMFWJI-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide (CID 79118080) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide?
The InChIKey is DTGZKXSZIMFWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13-5-3-4-6-15(13)16(19)18(2)14-7-9-17(10-8-14)20-11-12-21-17/h3-6,14H,7-12H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide has a molecular weight of 289.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2-dimethylbenzamide is sourced from PubChem (CID 79118080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).