3-oxo-N-pyrimidin-2-yldodecanamide

C16H25N3O2 — CID 25129599

IUPAC3-oxo-N-pyrimidin-2-yldodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1ncccn1
InChIInChI=1S/C16H25N3O2/c1-2-3-4-5-6-7-8-10-14(20)13-15(21)19-16-17-11-9-12-18-16/h9,11-12H,2-8,10,13H2,1H3,(H,17,18,19,21)
InChIKeyIUCPUTAMUDDMOW-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.52
Rot. Bonds11

About 3-oxo-N-pyrimidin-2-yldodecanamide

3-oxo-N-pyrimidin-2-yldodecanamide (PubChem CID 25129599) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-oxo-N-pyrimidin-2-yldodecanamide.

Molecular Properties

Compound Name3-oxo-N-pyrimidin-2-yldodecanamide
PubChem CID25129599
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-oxo-N-pyrimidin-2-yldodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1ncccn1
InChIInChI=1S/C16H25N3O2/c1-2-3-4-5-6-7-8-10-14(20)13-15(21)19-16-17-11-9-12-18-16/h9,11-12H,2-8,10,13H2,1H3,(H,17,18,19,21)
InChIKeyIUCPUTAMUDDMOW-UHFFFAOYSA-N
XLogP3.52
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-Acetoacetamidopyrimidine
CID 249238
N-(pyrimidin-2-yl)cyclohexanecarboxamide
CID 819233
N-pyrimidin-2-ylundec-10-enamide
CID 1725648
N-(pyrimidin-2-yl)dodecanamide
CID 4599879
Valeramide, 2-propyl-N-(2-pyrimidinyl)-
CID 88962
N-(2-pyrimidyl) butanamide
CID 4220870
N-(pyrimidin-2-yl)hexanamide
CID 4250539
N-pyrimidin-4-yldodecanamide
CID 117976156
3-oxo-N-pyrimidin-4-yldodecanamide
CID 117976157
N-(pyrimidin-2-yl)decanamide
CID 3614574
N-pyrimidin-2-yltetradecanamide
CID 4052382
N-(pyrimidin-2-yl)octanamide
CID 4077414

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pyrimidin-2-yldodecanamide?
The IUPAC name of 3-oxo-N-pyrimidin-2-yldodecanamide (CID 25129599) is 3-oxo-N-pyrimidin-2-yldodecanamide.
What is the SMILES notation for 3-oxo-N-pyrimidin-2-yldodecanamide?
The canonical SMILES for 3-oxo-N-pyrimidin-2-yldodecanamide is CCCCCCCCCC(=O)CC(=O)Nc1ncccn1.
What is the InChIKey of 3-oxo-N-pyrimidin-2-yldodecanamide?
The InChIKey is IUCPUTAMUDDMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-3-4-5-6-7-8-10-14(20)13-15(21)19-16-17-11-9-12-18-16/h9,11-12H,2-8,10,13H2,1H3,(H,17,18,19,21).
What are the key properties of 3-oxo-N-pyrimidin-2-yldodecanamide?
3-oxo-N-pyrimidin-2-yldodecanamide has a molecular weight of 291.39 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pyrimidin-2-yldodecanamide is sourced from PubChem (CID 25129599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).