N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide

C30H49NO2 — CID 15069750

IUPACN-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CNC(C)=O
InChIInChI=1S/C30H49NO2/c1-24(15-9-17-26(3)19-11-21-28(5)23-31-30(7)33)13-8-14-25(2)16-10-18-27(4)20-12-22-29(6)32/h13,16-17,20-21H,8-12,14-15,18-19,22-23H2,1-7H3,(H,31,33)/b24-13+,25-16+,26-17+,27-20+,28-21+
InChIKeyROODEQLHIQXCKT-CTRYXOQBSA-N
MW455.73 g/mol
LogP8.34
Rot. Bonds17

About N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide

N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide (PubChem CID 15069750) has the molecular formula C30H49NO2 and a molecular weight of 455.73 g/mol. Its IUPAC name is N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide.

Molecular Properties

Compound NameN-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide
PubChem CID15069750
Molecular FormulaC30H49NO2
Molecular Weight455.73 g/mol
Exact Mass455.38
IUPAC NameN-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CNC(C)=O
InChIInChI=1S/C30H49NO2/c1-24(15-9-17-26(3)19-11-21-28(5)23-31-30(7)33)13-8-14-25(2)16-10-18-27(4)20-12-22-29(6)32/h13,16-17,20-21H,8-12,14-15,18-19,22-23H2,1-7H3,(H,31,33)/b24-13+,25-16+,26-17+,27-20+,28-21+
InChIKeyROODEQLHIQXCKT-CTRYXOQBSA-N
XLogP8.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.73
LogP ≤ 58.34
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,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide?
The IUPAC name of N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide (CID 15069750) is N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide.
What is the SMILES notation for N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide?
The canonical SMILES for N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide is CC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CNC(C)=O.
What is the InChIKey of N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide?
The InChIKey is ROODEQLHIQXCKT-CTRYXOQBSA-N. The full InChI is InChI=1S/C30H49NO2/c1-24(15-9-17-26(3)19-11-21-28(5)23-31-30(7)33)13-8-14-25(2)16-10-18-27(4)20-12-22-29(6)32/h13,16-17,20-21H,8-12,14-15,18-19,22-23H2,1-7H3,(H,31,33)/b24-13+,25-16+,26-17+,27-20+,28-21+.
What are the key properties of N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide?
N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide has a molecular weight of 455.73 g/mol, XLogP of 8.34, 17 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,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide is sourced from PubChem (CID 15069750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).