methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate

C17H25NO3 — CID 146092922

IUPACmethyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate
SMILESCOC(=O)C12CC(C(=O)NC(C3CCC3)C3CCC3)(C1)C2
InChIInChI=1S/C17H25NO3/c1-21-15(20)17-8-16(9-17,10-17)14(19)18-13(11-4-2-5-11)12-6-3-7-12/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyCUPLBUYAWMOJKR-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.41
Rot. Bonds5

About methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate

methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate (PubChem CID 146092922) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate
PubChem CID146092922
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate
SMILESCOC(=O)C12CC(C(=O)NC(C3CCC3)C3CCC3)(C1)C2
InChIInChI=1S/C17H25NO3/c1-21-15(20)17-8-16(9-17,10-17)14(19)18-13(11-4-2-5-11)12-6-3-7-12/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyCUPLBUYAWMOJKR-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate?
The IUPAC name of methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate (CID 146092922) is methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate.
What is the SMILES notation for methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate?
The canonical SMILES for methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate is COC(=O)C12CC(C(=O)NC(C3CCC3)C3CCC3)(C1)C2.
What is the InChIKey of methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate?
The InChIKey is CUPLBUYAWMOJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-21-15(20)17-8-16(9-17,10-17)14(19)18-13(11-4-2-5-11)12-6-3-7-12/h11-13H,2-10H2,1H3,(H,18,19).
What are the key properties of methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate?
methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[di(cyclobutyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylate is sourced from PubChem (CID 146092922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).