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

C31H51NO2 — CID 15069751

IUPACN-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]propanamide
SMILESCCC(=O)NC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C31H51NO2/c1-8-31(34)32-24-29(6)22-12-20-27(4)18-10-16-25(2)14-9-15-26(3)17-11-19-28(5)21-13-23-30(7)33/h14,17-18,21-22H,8-13,15-16,19-20,23-24H2,1-7H3,(H,32,34)/b25-14+,26-17+,27-18+,28-21+,29-22+
InChIKeyFPELPSIDGKDGRK-AUSQSCHRSA-N
MW469.75 g/mol
LogP8.73
Rot. Bonds18

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

N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]propanamide (PubChem CID 15069751) has the molecular formula C31H51NO2 and a molecular weight of 469.75 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]propanamide.

Molecular Properties

Compound NameN-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]propanamide
PubChem CID15069751
Molecular FormulaC31H51NO2
Molecular Weight469.75 g/mol
Exact Mass469.39
IUPAC NameN-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]propanamide
SMILESCCC(=O)NC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C31H51NO2/c1-8-31(34)32-24-29(6)22-12-20-27(4)18-10-16-25(2)14-9-15-26(3)17-11-19-28(5)21-13-23-30(7)33/h14,17-18,21-22H,8-13,15-16,19-20,23-24H2,1-7H3,(H,32,34)/b25-14+,26-17+,27-18+,28-21+,29-22+
InChIKeyFPELPSIDGKDGRK-AUSQSCHRSA-N
XLogP8.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.75
LogP ≤ 58.73
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]propanamide?
The IUPAC name of N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]propanamide (CID 15069751) is N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]propanamide.
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]propanamide?
The canonical SMILES for N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]propanamide is CCC(=O)NC/C(C)=C/CC/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,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]propanamide?
The InChIKey is FPELPSIDGKDGRK-AUSQSCHRSA-N. The full InChI is InChI=1S/C31H51NO2/c1-8-31(34)32-24-29(6)22-12-20-27(4)18-10-16-25(2)14-9-15-26(3)17-11-19-28(5)21-13-23-30(7)33/h14,17-18,21-22H,8-13,15-16,19-20,23-24H2,1-7H3,(H,32,34)/b25-14+,26-17+,27-18+,28-21+,29-22+.
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]propanamide?
N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]propanamide has a molecular weight of 469.75 g/mol, XLogP of 8.73, 18 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]propanamide is sourced from PubChem (CID 15069751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).