(4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone

C19H27NO — CID 171941188

IUPAC(4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCCCc1ccc(C(=O)C2CC3CCC(C2)N3C)cc1
InChIInChI=1S/C19H27NO/c1-3-4-5-14-6-8-15(9-7-14)19(21)16-12-17-10-11-18(13-16)20(17)2/h6-9,16-18H,3-5,10-13H2,1-2H3
InChIKeyZMZOMJWOPIXQSE-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.08
Rot. Bonds5

About (4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone

(4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171941188) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171941188
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCCCc1ccc(C(=O)C2CC3CCC(C2)N3C)cc1
InChIInChI=1S/C19H27NO/c1-3-4-5-14-6-8-15(9-7-14)19(21)16-12-17-10-11-18(13-16)20(17)2/h6-9,16-18H,3-5,10-13H2,1-2H3
InChIKeyZMZOMJWOPIXQSE-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylphenyl)-cyclobutylmethanone;ethane
CID 177148339
cyclopentyl-(4-pentylphenyl)methanone
CID 146007805
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115997723
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(4-hexylphenyl)methanone
CID 171943016
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 171942646
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
(4-propan-2-ylcyclohexyl)-(4-propylphenyl)methanone
CID 65425046
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone
CID 171949885
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
(4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone
CID 155531741
2-fluoro-5-(8-methyl-8-azabicyclo[3.2.1]octane-3-carbonyl)benzonitrile
CID 171946784
(2-ethoxypyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171946809

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone (CID 171941188) is (4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is CCCCc1ccc(C(=O)C2CC3CCC(C2)N3C)cc1.
What is the InChIKey of (4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is ZMZOMJWOPIXQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-3-4-5-14-6-8-15(9-7-14)19(21)16-12-17-10-11-18(13-16)20(17)2/h6-9,16-18H,3-5,10-13H2,1-2H3.
What are the key properties of (4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone?
(4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 285.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171941188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).