N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C18H27N3O2 — CID 136930441

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C18H27N3O2/c1-12(2)7-6-8-13(3)9-10-19-17(22)11-16-14(4)20-15(5)21-18(16)23/h7,9H,6,8,10-11H2,1-5H3,(H,19,22)(H,20,21,23)/b13-9+
InChIKeyXDTLVWVEDMZREU-UKTHLTGXSA-N
MW317.43 g/mol
LogP2.74
Rot. Bonds7

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 136930441) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID136930441
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C18H27N3O2/c1-12(2)7-6-8-13(3)9-10-19-17(22)11-16-14(4)20-15(5)21-18(16)23/h7,9H,6,8,10-11H2,1-5H3,(H,19,22)(H,20,21,23)/b13-9+
InChIKeyXDTLVWVEDMZREU-UKTHLTGXSA-N
XLogP2.74
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide
CID 14834790
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
CID 118119915
N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
CID 59793391
N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890172
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 135956418
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
CID 167879268
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide
CID 91837396
N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide
CID 71441350
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 136905749
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylprop-2-enyl)propanamide
CID 137003571

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 136930441) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is CC(C)=CCC/C(C)=C/CNC(=O)Cc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is XDTLVWVEDMZREU-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12(2)7-6-8-13(3)9-10-19-17(22)11-16-14(4)20-15(5)21-18(16)23/h7,9H,6,8,10-11H2,1-5H3,(H,19,22)(H,20,21,23)/b13-9+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 136930441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).