[3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C17H24N2O2 — CID 66370516

IUPAC[3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCCNc1ccc(C(=O)N2CC3CCC(C2)O3)cc1C
InChIInChI=1S/C17H24N2O2/c1-3-8-18-16-7-4-13(9-12(16)2)17(20)19-10-14-5-6-15(11-19)21-14/h4,7,9,14-15,18H,3,5-6,8,10-11H2,1-2H3
InChIKeyASTAMCNBNASRBW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.82
Rot. Bonds4

About [3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

[3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66370516) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name[3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66370516
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCCNc1ccc(C(=O)N2CC3CCC(C2)O3)cc1C
InChIInChI=1S/C17H24N2O2/c1-3-8-18-16-7-4-13(9-12(16)2)17(20)19-10-14-5-6-15(11-19)21-14/h4,7,9,14-15,18H,3,5-6,8,10-11H2,1-2H3
InChIKeyASTAMCNBNASRBW-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 63213608
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
[4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone
CID 63213953
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 102936157
(2-methyl-5-sulfanylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107031826
[5-methyl-2-(methylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370710
N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82734789
[4-(5-hydroxypentylamino)-3-methylphenyl]-pyrrolidin-1-ylmethanone
CID 111770378
(4-fluoro-3-sulfanylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107031820
(2,6-dimethylmorpholin-4-yl)-[2-(propylamino)phenyl]methanone
CID 62171334

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of [3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66370516) is [3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for [3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for [3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is CCCNc1ccc(C(=O)N2CC3CCC(C2)O3)cc1C.
What is the InChIKey of [3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is ASTAMCNBNASRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-8-18-16-7-4-13(9-12(16)2)17(20)19-10-14-5-6-15(11-19)21-14/h4,7,9,14-15,18H,3,5-6,8,10-11H2,1-2H3.
What are the key properties of [3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
[3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66370516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).