8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane

C19H29NO — CID 115361978

IUPAC8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane
SMILESCC(C)(C)c1ccc(C2CNCC3(CCCC3)CO2)cc1
InChIInChI=1S/C19H29NO/c1-18(2,3)16-8-6-15(7-9-16)17-12-20-13-19(14-21-17)10-4-5-11-19/h6-9,17,20H,4-5,10-14H2,1-3H3
InChIKeyWLRLMSAHDIREEZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.21
Rot. Bonds1

About 8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane

8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane (PubChem CID 115361978) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane.

Molecular Properties

Compound Name8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane
PubChem CID115361978
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane
SMILESCC(C)(C)c1ccc(C2CNCC3(CCCC3)CO2)cc1
InChIInChI=1S/C19H29NO/c1-18(2,3)16-8-6-15(7-9-16)17-12-20-13-19(14-21-17)10-4-5-11-19/h6-9,17,20H,4-5,10-14H2,1-3H3
InChIKeyWLRLMSAHDIREEZ-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115361991
7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65104059
9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968917
8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361972
9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968950
8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 113294388
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968939
9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968892
8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115362003
8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115362032
2-(4-tert-butylphenyl)-5-ethylmorpholine
CID 43366895
9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968945

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane?
The IUPAC name of 8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane (CID 115361978) is 8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane.
What is the SMILES notation for 8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane?
The canonical SMILES for 8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane is CC(C)(C)c1ccc(C2CNCC3(CCCC3)CO2)cc1.
What is the InChIKey of 8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane?
The InChIKey is WLRLMSAHDIREEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-18(2,3)16-8-6-15(7-9-16)17-12-20-13-19(14-21-17)10-4-5-11-19/h6-9,17,20H,4-5,10-14H2,1-3H3.
What are the key properties of 8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane?
8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane has a molecular weight of 287.45 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane is sourced from PubChem (CID 115361978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).