8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide

C19H27NO4 — CID 100779192

IUPAC8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cc1
InChIInChI=1S/C19H27NO4/c1-14(2)24-16-8-6-15(7-9-16)20-17(21)18(3)12-22-19(23-13-18)10-4-5-11-19/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,21)
InChIKeyBTWAOIJOHZSMBT-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.74
Rot. Bonds4

About 8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide

8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 100779192) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID100779192
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cc1
InChIInChI=1S/C19H27NO4/c1-14(2)24-16-8-6-15(7-9-16)20-17(21)18(3)12-22-19(23-13-18)10-4-5-11-19/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,21)
InChIKeyBTWAOIJOHZSMBT-UHFFFAOYSA-N
XLogP3.74
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide
CID 100779113
8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100779251
3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119944238
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 133245841
2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
CID 100779087
1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 100729464
2-bromo-1-methyl-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 70610859
N-[4-methoxy-3-(trifluoromethyl)phenyl]-8-methyl-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100784252
1-methyl-N-[4-(2-methylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100691652
1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 108980460
2,6-dimethyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 133230278

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide (CID 100779192) is 8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide is CC(C)Oc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cc1.
What is the InChIKey of 8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is BTWAOIJOHZSMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-14(2)24-16-8-6-15(7-9-16)20-17(21)18(3)12-22-19(23-13-18)10-4-5-11-19/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,21).
What are the key properties of 8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide?
8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 100779192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).