2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate

C19H28N2O2 — CID 142227975

IUPAC2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate
SMILESC=Cc1cc(/C(=N\C(=O)OCC(C)C)C(C)(C)C)ccc1NC
InChIInChI=1S/C19H28N2O2/c1-8-14-11-15(9-10-16(14)20-7)17(19(4,5)6)21-18(22)23-12-13(2)3/h8-11,13,20H,1,12H2,2-7H3/b21-17+
InChIKeyAJDBIXHCJAHXLI-HEHNFIMWSA-N
MW316.45 g/mol
LogP5.00
Rot. Bonds5

About 2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate

2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate (PubChem CID 142227975) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate.

Molecular Properties

Compound Name2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate
PubChem CID142227975
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate
SMILESC=Cc1cc(/C(=N\C(=O)OCC(C)C)C(C)(C)C)ccc1NC
InChIInChI=1S/C19H28N2O2/c1-8-14-11-15(9-10-16(14)20-7)17(19(4,5)6)21-18(22)23-12-13(2)3/h8-11,13,20H,1,12H2,2-7H3/b21-17+
InChIKeyAJDBIXHCJAHXLI-HEHNFIMWSA-N
XLogP5.00
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate?
The IUPAC name of 2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate (CID 142227975) is 2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate.
What is the SMILES notation for 2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate?
The canonical SMILES for 2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate is C=Cc1cc(/C(=N\C(=O)OCC(C)C)C(C)(C)C)ccc1NC.
What is the InChIKey of 2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate?
The InChIKey is AJDBIXHCJAHXLI-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-8-14-11-15(9-10-16(14)20-7)17(19(4,5)6)21-18(22)23-12-13(2)3/h8-11,13,20H,1,12H2,2-7H3/b21-17+.
What are the key properties of 2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate?
2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate has a molecular weight of 316.45 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (NZ)-N-[1-[3-ethenyl-4-(methylamino)phenyl]-2,2-dimethylpropylidene]carbamate is sourced from PubChem (CID 142227975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).