N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide

C18H23NO5 — CID 2928952

IUPACN-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)OC23CCOC(C)(C)C3)c1
InChIInChI=1S/C18H23NO5/c1-17(2)11-18(7-8-23-17)14(10-15(20)24-18)16(21)19-12-5-4-6-13(9-12)22-3/h4-6,9,14H,7-8,10-11H2,1-3H3,(H,19,21)
InChIKeyQPYXDYFTEKSINJ-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.52
Rot. Bonds3

About N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide

N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide (PubChem CID 2928952) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
PubChem CID2928952
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC NameN-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)OC23CCOC(C)(C)C3)c1
InChIInChI=1S/C18H23NO5/c1-17(2)11-18(7-8-23-17)14(10-15(20)24-18)16(21)19-12-5-4-6-13(9-12)22-3/h4-6,9,14H,7-8,10-11H2,1-3H3,(H,19,21)
InChIKeyQPYXDYFTEKSINJ-UHFFFAOYSA-N
XLogP2.52
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide (CID 2928952) is N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide is COc1cccc(NC(=O)C2CC(=O)OC23CCOC(C)(C)C3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide?
The InChIKey is QPYXDYFTEKSINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-17(2)11-18(7-8-23-17)14(10-15(20)24-18)16(21)19-12-5-4-6-13(9-12)22-3/h4-6,9,14H,7-8,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide?
N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 2928952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).