N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide

C26H45N3O3 — CID 54375083

IUPACN-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)Nc1nc(OCC)cc(OCC)n1
InChIInChI=1S/C26H45N3O3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(30)27-26-28-24(31-5-2)22-25(29-26)32-6-3/h13-14,22H,4-12,15-21H2,1-3H3,(H,27,28,29,30)
InChIKeyUVXQHJPVSXEQGK-UHFFFAOYSA-N
MW447.66 g/mol
LogP7.25
Rot. Bonds20

About N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide

N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide (PubChem CID 54375083) has the molecular formula C26H45N3O3 and a molecular weight of 447.66 g/mol. Its IUPAC name is N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide.

Molecular Properties

Compound NameN-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide
PubChem CID54375083
Molecular FormulaC26H45N3O3
Molecular Weight447.66 g/mol
Exact Mass447.35
IUPAC NameN-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)Nc1nc(OCC)cc(OCC)n1
InChIInChI=1S/C26H45N3O3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(30)27-26-28-24(31-5-2)22-25(29-26)32-6-3/h13-14,22H,4-12,15-21H2,1-3H3,(H,27,28,29,30)
InChIKeyUVXQHJPVSXEQGK-UHFFFAOYSA-N
XLogP7.25
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.66
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
CID 14619504
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
N-pyrimidin-2-ylundecanamide
CID 4180610
N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-yltetradecanamide
CID 4052382
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
CID 15743064
2-methoxy-5-[[(Z)-octadec-9-enoyl]amino]benzenesulfonic acid
CID 141223658
(Z)-N-quinolin-2-yloctadec-9-enamide
CID 145189390

Frequently Asked Questions

What is the IUPAC name of N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide?
The IUPAC name of N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide (CID 54375083) is N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide.
What is the SMILES notation for N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide?
The canonical SMILES for N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)Nc1nc(OCC)cc(OCC)n1.
What is the InChIKey of N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide?
The InChIKey is UVXQHJPVSXEQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N3O3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(30)27-26-28-24(31-5-2)22-25(29-26)32-6-3/h13-14,22H,4-12,15-21H2,1-3H3,(H,27,28,29,30).
What are the key properties of N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide?
N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide has a molecular weight of 447.66 g/mol, XLogP of 7.25, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diethoxypyrimidin-2-yl)octadec-9-enamide is sourced from PubChem (CID 54375083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).