9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide

C18H28N4O2 — CID 136564417

IUPAC9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCN1CCC2(CC1)CCN(C(=O)Nc1noc3c1CCCC3)CC2
InChIInChI=1S/C18H28N4O2/c1-21-10-6-18(7-11-21)8-12-22(13-9-18)17(23)19-16-14-4-2-3-5-15(14)24-20-16/h2-13H2,1H3,(H,19,20,23)
InChIKeyMZGYAWQQNUEIQH-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.89
Rot. Bonds1

About 9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide

9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide (PubChem CID 136564417) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound Name9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
PubChem CID136564417
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCN1CCC2(CC1)CCN(C(=O)Nc1noc3c1CCCC3)CC2
InChIInChI=1S/C18H28N4O2/c1-21-10-6-18(7-11-21)8-12-22(13-9-18)17(23)19-16-14-4-2-3-5-15(14)24-20-16/h2-13H2,1H3,(H,19,20,23)
InChIKeyMZGYAWQQNUEIQH-UHFFFAOYSA-N
XLogP2.89
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-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 9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of 9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide (CID 136564417) is 9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for 9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for 9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide is CN1CCC2(CC1)CCN(C(=O)Nc1noc3c1CCCC3)CC2.
What is the InChIKey of 9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The InChIKey is MZGYAWQQNUEIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21-10-6-18(7-11-21)8-12-22(13-9-18)17(23)19-16-14-4-2-3-5-15(14)24-20-16/h2-13H2,1H3,(H,19,20,23).
What are the key properties of 9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 136564417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).