N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide

C16H27N3O — CID 71107027

IUPACN-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide
SMILESCCCC(=O)N(c1ccnc(CCC)n1)C(C)CCC
InChIInChI=1S/C16H27N3O/c1-5-8-13(4)19(16(20)10-7-3)15-11-12-17-14(18-15)9-6-2/h11-13H,5-10H2,1-4H3
InChIKeyJJGSZNWFBJCMSK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.75
Rot. Bonds8

About N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide

N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide (PubChem CID 71107027) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide
PubChem CID71107027
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide
SMILESCCCC(=O)N(c1ccnc(CCC)n1)C(C)CCC
InChIInChI=1S/C16H27N3O/c1-5-8-13(4)19(16(20)10-7-3)15-11-12-17-14(18-15)9-6-2/h11-13H,5-10H2,1-4H3
InChIKeyJJGSZNWFBJCMSK-UHFFFAOYSA-N
XLogP3.75
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide?
The IUPAC name of N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide (CID 71107027) is N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide.
What is the SMILES notation for N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide?
The canonical SMILES for N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide is CCCC(=O)N(c1ccnc(CCC)n1)C(C)CCC.
What is the InChIKey of N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide?
The InChIKey is JJGSZNWFBJCMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-8-13(4)19(16(20)10-7-3)15-11-12-17-14(18-15)9-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide?
N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide has a molecular weight of 277.41 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-N-(2-propylpyrimidin-4-yl)butanamide is sourced from PubChem (CID 71107027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).