[(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate

C18H25NO2 — CID 171623081

IUPAC[(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate
SMILESCc1ccc(CN(C)C(=O)OC2CC/C=C\CCC2)cc1
InChIInChI=1S/C18H25NO2/c1-15-10-12-16(13-11-15)14-19(2)18(20)21-17-8-6-4-3-5-7-9-17/h3-4,10-13,17H,5-9,14H2,1-2H3/b4-3-
InChIKeyZKAHOGZRTUVOMD-ARJAWSKDSA-N
MW287.40 g/mol
LogP4.45
Rot. Bonds3

About [(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate

[(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate (PubChem CID 171623081) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is [(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Name[(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate
PubChem CID171623081
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name[(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate
SMILESCc1ccc(CN(C)C(=O)OC2CC/C=C\CCC2)cc1
InChIInChI=1S/C18H25NO2/c1-15-10-12-16(13-11-15)14-19(2)18(20)21-17-8-6-4-3-5-7-9-17/h3-4,10-13,17H,5-9,14H2,1-2H3/b4-3-
InChIKeyZKAHOGZRTUVOMD-ARJAWSKDSA-N
XLogP4.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate?
The IUPAC name of [(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate (CID 171623081) is [(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate.
What is the SMILES notation for [(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate?
The canonical SMILES for [(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate is Cc1ccc(CN(C)C(=O)OC2CC/C=C\CCC2)cc1.
What is the InChIKey of [(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate?
The InChIKey is ZKAHOGZRTUVOMD-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H25NO2/c1-15-10-12-16(13-11-15)14-19(2)18(20)21-17-8-6-4-3-5-7-9-17/h3-4,10-13,17H,5-9,14H2,1-2H3/b4-3-.
What are the key properties of [(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate?
[(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate has a molecular weight of 287.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-cyclooct-4-en-1-yl] N-methyl-N-[(4-methylphenyl)methyl]carbamate is sourced from PubChem (CID 171623081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).