methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate

C17H23NO3 — CID 3241776

IUPACmethyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(C)(C(=O)Nc2ccccc2)C1(C)C
InChIInChI=1S/C17H23NO3/c1-16(2)13(14(19)21-4)10-11-17(16,3)15(20)18-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,20)
InChIKeyYCDJHPJOVPMNMP-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.24
Rot. Bonds3

About methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate

methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate (PubChem CID 3241776) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate
PubChem CID3241776
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Namemethyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(C)(C(=O)Nc2ccccc2)C1(C)C
InChIInChI=1S/C17H23NO3/c1-16(2)13(14(19)21-4)10-11-17(16,3)15(20)18-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,20)
InChIKeyYCDJHPJOVPMNMP-UHFFFAOYSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate (CID 3241776) is methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCC(C)(C(=O)Nc2ccccc2)C1(C)C.
What is the InChIKey of methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate?
The InChIKey is YCDJHPJOVPMNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-16(2)13(14(19)21-4)10-11-17(16,3)15(20)18-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,20).
What are the key properties of methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate?
methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate has a molecular weight of 289.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 3241776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).