N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide

C20H35N3O — CID 18735515

IUPACN-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide
SMILESCCCc1cncnc1N(C(=O)CC(C)(C)C)C(CCC)CCC
InChIInChI=1S/C20H35N3O/c1-7-10-16-14-21-15-22-19(16)23(17(11-8-2)12-9-3)18(24)13-20(4,5)6/h14-15,17H,7-13H2,1-6H3
InChIKeyCMDIQLJUSZPNTM-UHFFFAOYSA-N
MW333.52 g/mol
LogP5.17
Rot. Bonds9

About N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide

N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide (PubChem CID 18735515) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide
PubChem CID18735515
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC NameN-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide
SMILESCCCc1cncnc1N(C(=O)CC(C)(C)C)C(CCC)CCC
InChIInChI=1S/C20H35N3O/c1-7-10-16-14-21-15-22-19(16)23(17(11-8-2)12-9-3)18(24)13-20(4,5)6/h14-15,17H,7-13H2,1-6H3
InChIKeyCMDIQLJUSZPNTM-UHFFFAOYSA-N
XLogP5.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide?
The IUPAC name of N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide (CID 18735515) is N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide.
What is the SMILES notation for N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide?
The canonical SMILES for N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide is CCCc1cncnc1N(C(=O)CC(C)(C)C)C(CCC)CCC.
What is the InChIKey of N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide?
The InChIKey is CMDIQLJUSZPNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-7-10-16-14-21-15-22-19(16)23(17(11-8-2)12-9-3)18(24)13-20(4,5)6/h14-15,17H,7-13H2,1-6H3.
What are the key properties of N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide?
N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide has a molecular weight of 333.52 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-3,3-dimethyl-N-(5-propylpyrimidin-4-yl)butanamide is sourced from PubChem (CID 18735515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).