2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide

C18H28N2O4 — CID 18342011

IUPAC2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide
SMILESCNC(=O)C1C(C(C)=O)C(C(=O)NC2CCC(C)CC2)C1C(C)=O
InChIInChI=1S/C18H28N2O4/c1-9-5-7-12(8-6-9)20-18(24)16-13(10(2)21)15(17(23)19-4)14(16)11(3)22/h9,12-16H,5-8H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyFPSMKKGXUXNFSO-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.08
Rot. Bonds5

About 2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide

2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide (PubChem CID 18342011) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide.

Molecular Properties

Compound Name2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide
PubChem CID18342011
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide
SMILESCNC(=O)C1C(C(C)=O)C(C(=O)NC2CCC(C)CC2)C1C(C)=O
InChIInChI=1S/C18H28N2O4/c1-9-5-7-12(8-6-9)20-18(24)16-13(10(2)21)15(17(23)19-4)14(16)11(3)22/h9,12-16H,5-8H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyFPSMKKGXUXNFSO-UHFFFAOYSA-N
XLogP1.08
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide?
The IUPAC name of 2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide (CID 18342011) is 2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide.
What is the SMILES notation for 2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide?
The canonical SMILES for 2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide is CNC(=O)C1C(C(C)=O)C(C(=O)NC2CCC(C)CC2)C1C(C)=O.
What is the InChIKey of 2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide?
The InChIKey is FPSMKKGXUXNFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-9-5-7-12(8-6-9)20-18(24)16-13(10(2)21)15(17(23)19-4)14(16)11(3)22/h9,12-16H,5-8H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of 2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide?
2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide has a molecular weight of 336.43 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide is sourced from PubChem (CID 18342011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).