N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide

C21H36FN3O — CID 18735649

IUPACN-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(C(=O)CC(C)(C)C)c1ncc(F)c(CC)n1
InChIInChI=1S/C21H36FN3O/c1-7-10-12-16(13-11-8-2)25(19(26)14-21(4,5)6)20-23-15-17(22)18(9-3)24-20/h15-16H,7-14H2,1-6H3
InChIKeyITTLBWHRTQGESN-UHFFFAOYSA-N
MW365.54 g/mol
LogP5.70
Rot. Bonds10

About N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide

N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide (PubChem CID 18735649) has the molecular formula C21H36FN3O and a molecular weight of 365.54 g/mol. Its IUPAC name is N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide.

Molecular Properties

Compound NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide
PubChem CID18735649
Molecular FormulaC21H36FN3O
Molecular Weight365.54 g/mol
Exact Mass365.28
IUPAC NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(C(=O)CC(C)(C)C)c1ncc(F)c(CC)n1
InChIInChI=1S/C21H36FN3O/c1-7-10-12-16(13-11-8-2)25(19(26)14-21(4,5)6)20-23-15-17(22)18(9-3)24-20/h15-16H,7-14H2,1-6H3
InChIKeyITTLBWHRTQGESN-UHFFFAOYSA-N
XLogP5.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide?
The IUPAC name of N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide (CID 18735649) is N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide.
What is the SMILES notation for N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide?
The canonical SMILES for N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide is CCCCC(CCCC)N(C(=O)CC(C)(C)C)c1ncc(F)c(CC)n1.
What is the InChIKey of N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide?
The InChIKey is ITTLBWHRTQGESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36FN3O/c1-7-10-12-16(13-11-8-2)25(19(26)14-21(4,5)6)20-23-15-17(22)18(9-3)24-20/h15-16H,7-14H2,1-6H3.
What are the key properties of N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide?
N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethyl-N-nonan-5-ylbutanamide has a molecular weight of 365.54 g/mol, XLogP of 5.70, 10 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)-3,3-dimethyl-N-nonan-5-ylbutanamide is sourced from PubChem (CID 18735649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).