(E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide

C27H52N2O — CID 21297931

IUPAC(E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide
SMILESCCN1CCCC(NC(=O)/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C1
InChIInChI=1S/C27H52N2O/c1-7-29-19-11-18-26(21-29)28-27(30)20-25(6)17-10-16-24(5)15-9-14-23(4)13-8-12-22(2)3/h20,22-24,26H,7-19,21H2,1-6H3,(H,28,30)/b25-20+
InChIKeyLBBJJGLLCCOSNG-LKUDQCMESA-N
MW420.73 g/mol
LogP6.97
Rot. Bonds15

About (E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide

(E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide (PubChem CID 21297931) has the molecular formula C27H52N2O and a molecular weight of 420.73 g/mol. Its IUPAC name is (E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide
PubChem CID21297931
Molecular FormulaC27H52N2O
Molecular Weight420.73 g/mol
Exact Mass420.41
IUPAC Name(E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide
SMILESCCN1CCCC(NC(=O)/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C1
InChIInChI=1S/C27H52N2O/c1-7-29-19-11-18-26(21-29)28-27(30)20-25(6)17-10-16-24(5)15-9-14-23(4)13-8-12-22(2)3/h20,22-24,26H,7-19,21H2,1-6H3,(H,28,30)/b25-20+
InChIKeyLBBJJGLLCCOSNG-LKUDQCMESA-N
XLogP6.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.73
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide?
The IUPAC name of (E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide (CID 21297931) is (E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide.
What is the SMILES notation for (E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide?
The canonical SMILES for (E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide is CCN1CCCC(NC(=O)/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C1.
What is the InChIKey of (E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide?
The InChIKey is LBBJJGLLCCOSNG-LKUDQCMESA-N. The full InChI is InChI=1S/C27H52N2O/c1-7-29-19-11-18-26(21-29)28-27(30)20-25(6)17-10-16-24(5)15-9-14-23(4)13-8-12-22(2)3/h20,22-24,26H,7-19,21H2,1-6H3,(H,28,30)/b25-20+.
What are the key properties of (E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide?
(E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide has a molecular weight of 420.73 g/mol, XLogP of 6.97, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadec-2-enamide is sourced from PubChem (CID 21297931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).