(E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one

C20H37NO2 — CID 19855820

IUPAC(E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one
SMILESC/C=C/CCCCCC(C)CCCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C20H37NO2/c1-4-5-6-7-8-9-11-18(2)12-10-13-19(3)20(22)21-14-16-23-17-15-21/h4-5,18-19H,6-17H2,1-3H3/b5-4+
InChIKeyLEHZGPBZMNPTOZ-SNAWJCMRSA-N
MW323.52 g/mol
LogP4.81
Rot. Bonds11

About (E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one

(E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one (PubChem CID 19855820) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is (E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one.

Molecular Properties

Compound Name(E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one
PubChem CID19855820
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name(E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one
SMILESC/C=C/CCCCCC(C)CCCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C20H37NO2/c1-4-5-6-7-8-9-11-18(2)12-10-13-19(3)20(22)21-14-16-23-17-15-21/h4-5,18-19H,6-17H2,1-3H3/b5-4+
InChIKeyLEHZGPBZMNPTOZ-SNAWJCMRSA-N
XLogP4.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Arachidonoylmorpholine
CID 5283433
Oleoylmorpholine
CID 6437597
Morpholine, 4-(2-(4-(2-methylpropyl)-1-cyclohexen-1-yl)-1-oxobutyl)-
CID 214706
2-[(1S,4S,6S)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile
CID 38029860
Cyclohex-3-en-1-yl(morpholino)methanone
CID 12760863
(E)-2,2-difluoro-1-morpholino-3-propylhept-4-en-1-one
CID 168720242
(R)-2,2-difluoro-4-(4-methylcyclohex-3-en-1-yl)-1-morpholinopent-4-en-1-one
CID 168720250
2-[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile
CID 38029974
1-Morpholin-4-yloctadec-9-en-1-one
CID 111060
Linoleoylmorpholine
CID 10948080
N-oleoyl-4-methylpiperidin
CID 70607554
N,N-bis(2-ethoxyethyl)oleamide
CID 88795316

Frequently Asked Questions

What is the IUPAC name of (E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one?
The IUPAC name of (E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one (CID 19855820) is (E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one.
What is the SMILES notation for (E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one?
The canonical SMILES for (E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one is C/C=C/CCCCCC(C)CCCC(C)C(=O)N1CCOCC1.
What is the InChIKey of (E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one?
The InChIKey is LEHZGPBZMNPTOZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H37NO2/c1-4-5-6-7-8-9-11-18(2)12-10-13-19(3)20(22)21-14-16-23-17-15-21/h4-5,18-19H,6-17H2,1-3H3/b5-4+.
What are the key properties of (E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one?
(E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one has a molecular weight of 323.52 g/mol, XLogP of 4.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-dimethyl-1-morpholin-4-yltetradec-12-en-1-one is sourced from PubChem (CID 19855820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).