N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide

C22H37NO2 — CID 57095589

IUPACN-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide
SMILESCCCC(=O)NCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=O
InChIInChI=1S/C22H37NO2/c1-6-10-22(25)23-17-20(4)15-8-13-18(2)11-7-12-19(3)14-9-16-21(5)24/h11,14-15H,6-10,12-13,16-17H2,1-5H3,(H,23,25)
InChIKeyIEOTUTKZIANPDG-UHFFFAOYSA-N
MW347.54 g/mol
LogP5.67
Rot. Bonds13

About N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide

N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide (PubChem CID 57095589) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide.

Molecular Properties

Compound NameN-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide
PubChem CID57095589
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC NameN-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide
SMILESCCCC(=O)NCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=O
InChIInChI=1S/C22H37NO2/c1-6-10-22(25)23-17-20(4)15-8-13-18(2)11-7-12-19(3)14-9-16-21(5)24/h11,14-15H,6-10,12-13,16-17H2,1-5H3,(H,23,25)
InChIKeyIEOTUTKZIANPDG-UHFFFAOYSA-N
XLogP5.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
CID 59793391
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid
CID 172767387
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
CID 118119915
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
CID 15069733
(E)-8-hydroxy-5-methyloct-5-en-2-one
CID 102321147
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(2E,6E)-2,6-dimethylpentadeca-2,6-dienyl]pentanamide
CID 155244733

Frequently Asked Questions

What is the IUPAC name of N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide?
The IUPAC name of N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide (CID 57095589) is N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide.
What is the SMILES notation for N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide?
The canonical SMILES for N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide is CCCC(=O)NCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=O.
What is the InChIKey of N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide?
The InChIKey is IEOTUTKZIANPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-6-10-22(25)23-17-20(4)15-8-13-18(2)11-7-12-19(3)14-9-16-21(5)24/h11,14-15H,6-10,12-13,16-17H2,1-5H3,(H,23,25).
What are the key properties of N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide?
N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide has a molecular weight of 347.54 g/mol, XLogP of 5.67, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide is sourced from PubChem (CID 57095589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).