N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide

C18H25NO4 — CID 100779113

IUPACN-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cc1
InChIInChI=1S/C18H25NO4/c1-17(12-22-18(23-13-17)10-4-3-5-11-18)16(20)19-14-6-8-15(21-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,19,20)
InChIKeyPSMAYZUDEGEKRN-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.35
Rot. Bonds3

About N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide

N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide (PubChem CID 100779113) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide
PubChem CID100779113
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC NameN-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cc1
InChIInChI=1S/C18H25NO4/c1-17(12-22-18(23-13-17)10-4-3-5-11-18)16(20)19-14-6-8-15(21-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,19,20)
InChIKeyPSMAYZUDEGEKRN-UHFFFAOYSA-N
XLogP3.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100779192
8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100779251
N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide
CID 87336938
N-[4-methoxy-3-(trifluoromethyl)phenyl]-8-methyl-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100784252
1-formamido-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 15065034
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide
CID 100778993
3-methyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-1,5-dioxaspiro[5.5]undecane-3-carboxamide
CID 100784097
N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
CID 100779083
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide (CID 100779113) is N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide is COc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide?
The InChIKey is PSMAYZUDEGEKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-17(12-22-18(23-13-17)10-4-3-5-11-18)16(20)19-14-6-8-15(21-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide?
N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 100779113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).