3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide

C16H27N3O — CID 18735540

IUPAC3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide
SMILESCCCc1nccc(N(CCC)C(=O)CC(C)(C)C)n1
InChIInChI=1S/C16H27N3O/c1-6-8-13-17-10-9-14(18-13)19(11-7-2)15(20)12-16(3,4)5/h9-10H,6-8,11-12H2,1-5H3
InChIKeyYEKZXLGBRQIIHM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.61
Rot. Bonds6

About 3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide

3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide (PubChem CID 18735540) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide
PubChem CID18735540
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide
SMILESCCCc1nccc(N(CCC)C(=O)CC(C)(C)C)n1
InChIInChI=1S/C16H27N3O/c1-6-8-13-17-10-9-14(18-13)19(11-7-2)15(20)12-16(3,4)5/h9-10H,6-8,11-12H2,1-5H3
InChIKeyYEKZXLGBRQIIHM-UHFFFAOYSA-N
XLogP3.61
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide (CID 18735540) is 3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide is CCCc1nccc(N(CCC)C(=O)CC(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide?
The InChIKey is YEKZXLGBRQIIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-8-13-17-10-9-14(18-13)19(11-7-2)15(20)12-16(3,4)5/h9-10H,6-8,11-12H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide?
3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide has a molecular weight of 277.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-N-(2-propylpyrimidin-4-yl)butanamide is sourced from PubChem (CID 18735540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).