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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Related Compounds

N-[(2R)-6-(4-methylpentyl)-6-azaspiro[2.5]octan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 140937031
N-(6-azaspiro[2.5]octan-2-yl)-3,5-dichlorobenzamide
CID 140937020
4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 38768638
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide
CID 103358091
N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide
CID 58033820
N-[(2R)-6-(2-amino-2-oxoethyl)-6-azaspiro[2.5]octan-2-yl]-3-fluoro-5-(trifluoromethyl)benzamide;2-methylpropane
CID 158391788
3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide
CID 129134913
4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 5065977
4-(4-methylpiperazin-1-yl)-N-[6-[2-[3-(trifluoromethoxy)phenyl]acetyl]-6-azaspiro[2.5]octan-2-yl]benzamide
CID 171699010
N-[6-[2-(tert-butylamino)-2-oxoethyl]-4,4-difluoro-6-azaspiro[2.5]octan-2-yl]-3,5-dichlorobenzamide
CID 129134845
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775

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).