N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide

C19H32FN3O — CID 18735981

IUPACN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide
SMILESCCCC(CCC)N(C(=O)CC(C)(C)C)c1ncc(F)c(CC)n1
InChIInChI=1S/C19H32FN3O/c1-7-10-14(11-8-2)23(17(24)12-19(4,5)6)18-21-13-15(20)16(9-3)22-18/h13-14H,7-12H2,1-6H3
InChIKeyZLTXYMJCEFPZMA-UHFFFAOYSA-N
MW337.48 g/mol
LogP4.92
Rot. Bonds8

About N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide

N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide (PubChem CID 18735981) has the molecular formula C19H32FN3O and a molecular weight of 337.48 g/mol. Its IUPAC name is N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide
PubChem CID18735981
Molecular FormulaC19H32FN3O
Molecular Weight337.48 g/mol
Exact Mass337.25
IUPAC NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide
SMILESCCCC(CCC)N(C(=O)CC(C)(C)C)c1ncc(F)c(CC)n1
InChIInChI=1S/C19H32FN3O/c1-7-10-14(11-8-2)23(17(24)12-19(4,5)6)18-21-13-15(20)16(9-3)22-18/h13-14H,7-12H2,1-6H3
InChIKeyZLTXYMJCEFPZMA-UHFFFAOYSA-N
XLogP4.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide?
The IUPAC name of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide (CID 18735981) is N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide?
The canonical SMILES for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide is CCCC(CCC)N(C(=O)CC(C)(C)C)c1ncc(F)c(CC)n1.
What is the InChIKey of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide?
The InChIKey is ZLTXYMJCEFPZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN3O/c1-7-10-14(11-8-2)23(17(24)12-19(4,5)6)18-21-13-15(20)16(9-3)22-18/h13-14H,7-12H2,1-6H3.
What are the key properties of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide?
N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide has a molecular weight of 337.48 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-heptan-4-yl-3,3-dimethylbutanamide is sourced from PubChem (CID 18735981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).