methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate

C23H32N2O3 — CID 156864542

IUPACmethyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CCC3(CC2)CC(c2ccc(C)cc2C)C3)C1
InChIInChI=1S/C23H32N2O3/c1-15-4-5-20(16(2)10-15)18-13-23(14-18)6-8-25(9-7-23)21(26)17-11-19(12-17)24-22(27)28-3/h4-5,10,17-19H,6-9,11-14H2,1-3H3,(H,24,27)
InChIKeyVXCQCOOVZKJQNY-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.92
Rot. Bonds3

About methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate

methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate (PubChem CID 156864542) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
PubChem CID156864542
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Namemethyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CCC3(CC2)CC(c2ccc(C)cc2C)C3)C1
InChIInChI=1S/C23H32N2O3/c1-15-4-5-20(16(2)10-15)18-13-23(14-18)6-8-25(9-7-23)21(26)17-11-19(12-17)24-22(27)28-3/h4-5,10,17-19H,6-9,11-14H2,1-3H3,(H,24,27)
InChIKeyVXCQCOOVZKJQNY-UHFFFAOYSA-N
XLogP3.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate?
The IUPAC name of methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate (CID 156864542) is methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate.
What is the SMILES notation for methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate?
The canonical SMILES for methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate is COC(=O)NC1CC(C(=O)N2CCC3(CC2)CC(c2ccc(C)cc2C)C3)C1.
What is the InChIKey of methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate?
The InChIKey is VXCQCOOVZKJQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-15-4-5-20(16(2)10-15)18-13-23(14-18)6-8-25(9-7-23)21(26)17-11-19(12-17)24-22(27)28-3/h4-5,10,17-19H,6-9,11-14H2,1-3H3,(H,24,27).
What are the key properties of methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate?
methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate has a molecular weight of 384.52 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate is sourced from PubChem (CID 156864542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).