methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate

C15H24N2O5 — CID 139233974

IUPACmethyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate
SMILESCOC(=O)N(CC(=O)NC(=O)OC(C)(C)C)C1C=CCCC1
InChIInChI=1S/C15H24N2O5/c1-15(2,3)22-13(19)16-12(18)10-17(14(20)21-4)11-8-6-5-7-9-11/h6,8,11H,5,7,9-10H2,1-4H3,(H,16,18,19)
InChIKeyMCFWYDHBZRNEEM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.21
Rot. Bonds3

About methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate

methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate (PubChem CID 139233974) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate
PubChem CID139233974
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Namemethyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate
SMILESCOC(=O)N(CC(=O)NC(=O)OC(C)(C)C)C1C=CCCC1
InChIInChI=1S/C15H24N2O5/c1-15(2,3)22-13(19)16-12(18)10-17(14(20)21-4)11-8-6-5-7-9-11/h6,8,11H,5,7,9-10H2,1-4H3,(H,16,18,19)
InChIKeyMCFWYDHBZRNEEM-UHFFFAOYSA-N
XLogP2.21
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate (CID 139233974) is methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate is COC(=O)N(CC(=O)NC(=O)OC(C)(C)C)C1C=CCCC1.
What is the InChIKey of methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate?
The InChIKey is MCFWYDHBZRNEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-15(2,3)22-13(19)16-12(18)10-17(14(20)21-4)11-8-6-5-7-9-11/h6,8,11H,5,7,9-10H2,1-4H3,(H,16,18,19).
What are the key properties of methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate?
methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 139233974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).