N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide

C26H43NO2 — CID 15069747

IUPACN-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide
SMILESCCC(=O)NC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C26H43NO2/c1-7-26(29)27-20-24(5)18-10-16-22(3)14-8-12-21(2)13-9-15-23(4)17-11-19-25(6)28/h13-14,17-18H,7-12,15-16,19-20H2,1-6H3,(H,27,29)/b21-13+,22-14+,23-17+,24-18+
InChIKeyHJDTZQSBWNFTDF-ULRCYBMNSA-N
MW401.64 g/mol
LogP7.01
Rot. Bonds15

About N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide

N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide (PubChem CID 15069747) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide.

Molecular Properties

Compound NameN-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide
PubChem CID15069747
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC NameN-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide
SMILESCCC(=O)NC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C26H43NO2/c1-7-26(29)27-20-24(5)18-10-16-22(3)14-8-12-21(2)13-9-15-23(4)17-11-19-25(6)28/h13-14,17-18H,7-12,15-16,19-20H2,1-6H3,(H,27,29)/b21-13+,22-14+,23-17+,24-18+
InChIKeyHJDTZQSBWNFTDF-ULRCYBMNSA-N
XLogP7.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide?
The IUPAC name of N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide (CID 15069747) is N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide.
What is the SMILES notation for N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide?
The canonical SMILES for N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide is CCC(=O)NC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O.
What is the InChIKey of N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide?
The InChIKey is HJDTZQSBWNFTDF-ULRCYBMNSA-N. The full InChI is InChI=1S/C26H43NO2/c1-7-26(29)27-20-24(5)18-10-16-22(3)14-8-12-21(2)13-9-15-23(4)17-11-19-25(6)28/h13-14,17-18H,7-12,15-16,19-20H2,1-6H3,(H,27,29)/b21-13+,22-14+,23-17+,24-18+.
What are the key properties of N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide?
N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide has a molecular weight of 401.64 g/mol, XLogP of 7.01, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide is sourced from PubChem (CID 15069747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).