14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one

C22H41NO — CID 11727411

IUPAC14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one
SMILESCN1C(=O)CCCCCCCCCCCC1CCC1CCCCC1
InChIInChI=1S/C22H41NO/c1-23-21(19-18-20-14-10-9-11-15-20)16-12-7-5-3-2-4-6-8-13-17-22(23)24/h20-21H,2-19H2,1H3
InChIKeyAEFLGYDYPJXBIX-UHFFFAOYSA-N
MW335.58 g/mol
LogP6.48
Rot. Bonds3

About 14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one

14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one (PubChem CID 11727411) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is 14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one.

Molecular Properties

Compound Name14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one
PubChem CID11727411
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one
SMILESCN1C(=O)CCCCCCCCCCCC1CCC1CCCCC1
InChIInChI=1S/C22H41NO/c1-23-21(19-18-20-14-10-9-11-15-20)16-12-7-5-3-2-4-6-8-13-17-22(23)24/h20-21H,2-19H2,1H3
InChIKeyAEFLGYDYPJXBIX-UHFFFAOYSA-N
XLogP6.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one?
The IUPAC name of 14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one (CID 11727411) is 14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one.
What is the SMILES notation for 14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one?
The canonical SMILES for 14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one is CN1C(=O)CCCCCCCCCCCC1CCC1CCCCC1.
What is the InChIKey of 14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one?
The InChIKey is AEFLGYDYPJXBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO/c1-23-21(19-18-20-14-10-9-11-15-20)16-12-7-5-3-2-4-6-8-13-17-22(23)24/h20-21H,2-19H2,1H3.
What are the key properties of 14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one?
14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one has a molecular weight of 335.58 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one is sourced from PubChem (CID 11727411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).