4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide

C17H27N3O3 — CID 136557638

IUPAC4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide
SMILESCCn1cc(CNC(=O)CCCC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H27N3O3/c1-2-20-12-14(16(22)19-17(20)23)11-18-15(21)10-6-9-13-7-4-3-5-8-13/h12-13H,2-11H2,1H3,(H,18,21)(H,19,22,23)
InChIKeyHJPIKKKAGLKWNA-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.92
Rot. Bonds7

About 4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide

4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide (PubChem CID 136557638) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide
PubChem CID136557638
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide
SMILESCCn1cc(CNC(=O)CCCC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H27N3O3/c1-2-20-12-14(16(22)19-17(20)23)11-18-15(21)10-6-9-13-7-4-3-5-8-13/h12-13H,2-11H2,1H3,(H,18,21)(H,19,22,23)
InChIKeyHJPIKKKAGLKWNA-UHFFFAOYSA-N
XLogP1.92
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide (CID 136557638) is 4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide is CCn1cc(CNC(=O)CCCC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide?
The InChIKey is HJPIKKKAGLKWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-2-20-12-14(16(22)19-17(20)23)11-18-15(21)10-6-9-13-7-4-3-5-8-13/h12-13H,2-11H2,1H3,(H,18,21)(H,19,22,23).
What are the key properties of 4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide?
4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide has a molecular weight of 321.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[(1-ethyl-2,4-dioxopyrimidin-5-yl)methyl]butanamide is sourced from PubChem (CID 136557638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).