4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide

C20H29ClN2O — CID 129116072

IUPAC4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide
SMILESCC(C)(C)CCN1CCC2(CC1)CC2NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H29ClN2O/c1-19(2,3)8-11-23-12-9-20(10-13-23)14-17(20)22-18(24)15-4-6-16(21)7-5-15/h4-7,17H,8-14H2,1-3H3,(H,22,24)
InChIKeyJAOJOVWOTQJWKQ-UHFFFAOYSA-N
MW348.92 g/mol
LogP4.36
Rot. Bonds4

About 4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide

4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide (PubChem CID 129116072) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is 4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide
PubChem CID129116072
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC Name4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide
SMILESCC(C)(C)CCN1CCC2(CC1)CC2NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H29ClN2O/c1-19(2,3)8-11-23-12-9-20(10-13-23)14-17(20)22-18(24)15-4-6-16(21)7-5-15/h4-7,17H,8-14H2,1-3H3,(H,22,24)
InChIKeyJAOJOVWOTQJWKQ-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide (CID 129116072) is 4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide is CC(C)(C)CCN1CCC2(CC1)CC2NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide?
The InChIKey is JAOJOVWOTQJWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O/c1-19(2,3)8-11-23-12-9-20(10-13-23)14-17(20)22-18(24)15-4-6-16(21)7-5-15/h4-7,17H,8-14H2,1-3H3,(H,22,24).
What are the key properties of 4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide?
4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide has a molecular weight of 348.92 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]benzamide is sourced from PubChem (CID 129116072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).