azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone

C17H26N2O — CID 63209492

IUPACazocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
SMILESCCNc1ccc(C(=O)N2CCCCCCC2)cc1C
InChIInChI=1S/C17H26N2O/c1-3-18-16-10-9-15(13-14(16)2)17(20)19-11-7-5-4-6-8-12-19/h9-10,13,18H,3-8,11-12H2,1-2H3
InChIKeyPFSIVJGUPZSNPT-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.83
Rot. Bonds3

About azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone

azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone (PubChem CID 63209492) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
PubChem CID63209492
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Nameazocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
SMILESCCNc1ccc(C(=O)N2CCCCCCC2)cc1C
InChIInChI=1S/C17H26N2O/c1-3-18-16-10-9-15(13-14(16)2)17(20)19-11-7-5-4-6-8-12-19/h9-10,13,18H,3-8,11-12H2,1-2H3
InChIKeyPFSIVJGUPZSNPT-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936
[4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone
CID 63213953
[4-(ethylamino)-3-methylphenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637923
[4-(5-hydroxypentylamino)-3-methylphenyl]-pyrrolidin-1-ylmethanone
CID 111770378
1-[4-(ethylamino)-3-methylbenzoyl]-1,4-diazepan-5-one
CID 63211499
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521757
[3-methyl-4-(prop-2-ynylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 71858060
[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 166237298
azepan-1-yl-[4-[(Z)-but-2-en-2-yl]-3-methylphenyl]methanone
CID 144998488
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
(4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63209664

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone?
The IUPAC name of azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone (CID 63209492) is azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone.
What is the SMILES notation for azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone?
The canonical SMILES for azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone is CCNc1ccc(C(=O)N2CCCCCCC2)cc1C.
What is the InChIKey of azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone?
The InChIKey is PFSIVJGUPZSNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-18-16-10-9-15(13-14(16)2)17(20)19-11-7-5-4-6-8-12-19/h9-10,13,18H,3-8,11-12H2,1-2H3.
What are the key properties of azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone?
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone has a molecular weight of 274.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone is sourced from PubChem (CID 63209492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).