methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate

C15H26N2O3 — CID 67472911

IUPACmethyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1N(C(N)=O)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-20-14(18)12-9-5-6-10-13(12)17(15(16)19)11-7-3-2-4-8-11/h11-13H,2-10H2,1H3,(H2,16,19)
InChIKeySOXAJPYUNFKKPY-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.43
Rot. Bonds3

About methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate

methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate (PubChem CID 67472911) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate
PubChem CID67472911
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1N(C(N)=O)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-20-14(18)12-9-5-6-10-13(12)17(15(16)19)11-7-3-2-4-8-11/h11-13H,2-10H2,1H3,(H2,16,19)
InChIKeySOXAJPYUNFKKPY-UHFFFAOYSA-N
XLogP2.43
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate (CID 67472911) is methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1N(C(N)=O)C1CCCCC1.
What is the InChIKey of methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate?
The InChIKey is SOXAJPYUNFKKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-20-14(18)12-9-5-6-10-13(12)17(15(16)19)11-7-3-2-4-8-11/h11-13H,2-10H2,1H3,(H2,16,19).
What are the key properties of methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate?
methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[carbamoyl(cyclohexyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 67472911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).