(2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide

C22H37NO2 — CID 15069714

IUPAC(2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide
SMILESCCN(CC)C(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C22H37NO2/c1-7-23(8-2)22(25)20(5)16-10-14-18(3)12-9-13-19(4)15-11-17-21(6)24/h12,15-16H,7-11,13-14,17H2,1-6H3/b18-12+,19-15+,20-16+
InChIKeyPUXDYECSHBLCNP-IULDXAMZSA-N
MW347.54 g/mol
LogP5.62
Rot. Bonds12

About (2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide

(2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide (PubChem CID 15069714) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is (2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide.

Molecular Properties

Compound Name(2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide
PubChem CID15069714
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name(2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide
SMILESCCN(CC)C(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C22H37NO2/c1-7-23(8-2)22(25)20(5)16-10-14-18(3)12-9-13-19(4)15-11-17-21(6)24/h12,15-16H,7-11,13-14,17H2,1-6H3/b18-12+,19-15+,20-16+
InChIKeyPUXDYECSHBLCNP-IULDXAMZSA-N
XLogP5.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide?
The IUPAC name of (2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide (CID 15069714) is (2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide.
What is the SMILES notation for (2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide?
The canonical SMILES for (2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide is CCN(CC)C(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O.
What is the InChIKey of (2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide?
The InChIKey is PUXDYECSHBLCNP-IULDXAMZSA-N. The full InChI is InChI=1S/C22H37NO2/c1-7-23(8-2)22(25)20(5)16-10-14-18(3)12-9-13-19(4)15-11-17-21(6)24/h12,15-16H,7-11,13-14,17H2,1-6H3/b18-12+,19-15+,20-16+.
What are the key properties of (2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide?
(2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide has a molecular weight of 347.54 g/mol, XLogP of 5.62, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-N,N-diethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide is sourced from PubChem (CID 15069714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).