N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C18H26N2O3 — CID 3790965

IUPACN-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H26N2O3/c1-17(2,3)14-6-4-5-7-15(14)19-16(21)20-10-8-18(9-11-20)22-12-13-23-18/h4-7H,8-13H2,1-3H3,(H,19,21)
InChIKeyCRPCVRHETYSVRS-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.35
Rot. Bonds1

About N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 3790965) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID3790965
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H26N2O3/c1-17(2,3)14-6-4-5-7-15(14)19-16(21)20-10-8-18(9-11-20)22-12-13-23-18/h4-7H,8-13H2,1-3H3,(H,19,21)
InChIKeyCRPCVRHETYSVRS-UHFFFAOYSA-N
XLogP3.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 3790965) is N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CC(C)(C)c1ccccc1NC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is CRPCVRHETYSVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-17(2,3)14-6-4-5-7-15(14)19-16(21)20-10-8-18(9-11-20)22-12-13-23-18/h4-7H,8-13H2,1-3H3,(H,19,21).
What are the key properties of N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3790965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).