tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate

C19H33NO3 — CID 163319787

IUPACtert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate
SMILESC/C1=C/CCCC(=O)N(C(=O)OC(C)(C)C)CCCCCCC1
InChIInChI=1S/C19H33NO3/c1-16-12-8-6-5-7-11-15-20(17(21)14-10-9-13-16)18(22)23-19(2,3)4/h13H,5-12,14-15H2,1-4H3/b16-13-
InChIKeyKRICAWZBYITMCK-SSZFMOIBSA-N
MW323.48 g/mol
LogP5.22
Rot. Bonds

About tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate

tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate (PubChem CID 163319787) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate
PubChem CID163319787
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Nametert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate
SMILESC/C1=C/CCCC(=O)N(C(=O)OC(C)(C)C)CCCCCCC1
InChIInChI=1S/C19H33NO3/c1-16-12-8-6-5-7-11-15-20(17(21)14-10-9-13-16)18(22)23-19(2,3)4/h13H,5-12,14-15H2,1-4H3/b16-13-
InChIKeyKRICAWZBYITMCK-SSZFMOIBSA-N
XLogP5.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-tetradecyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11474452
Tert-butyl 2-oxo-1-azacyclotridec-11-ene-1-carboxylate
CID 135018057
tert-butyl (E)-8-methyl-2-oxoazacyclotetradec-8-ene-1-carboxylate
CID 163319773
tert-butyl (Z)-13-methyl-2-oxoazacyclononadec-13-ene-1-carboxylate
CID 163319786
tert-butyl ((E)-7-methylnon-7-enoyl)((Z)-non-6-en-1-yl)carbamate
CID 163319792
tert-butyl ((Z)-12-methyltetradec-12-enoyl)((Z)-non-6-en-1-yl)carbamate
CID 163319794
tert-butyl ((Z)-8-methyldec-8-en-1-yl)((Z)-oct-5-enoyl)carbamate
CID 163319795
Tert-butyl 2-(5-methylhex-4-enyl)-7-oxoazepane-1-carboxylate
CID 18340032
N-(10-decylicos-9-enyl)-N-methylpentanamide
CID 144279037
Tert-butyl 1-azacyclohexadeca-6,14-diene-1-carboxylate
CID 160746847
tert-butyl (10Z)-1-azacyclopentadec-10-ene-1-carboxylate
CID 11266868
tert-butyl (6E)-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate
CID 15399520

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate?
The IUPAC name of tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate (CID 163319787) is tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate.
What is the SMILES notation for tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate?
The canonical SMILES for tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate is C/C1=C/CCCC(=O)N(C(=O)OC(C)(C)C)CCCCCCC1.
What is the InChIKey of tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate?
The InChIKey is KRICAWZBYITMCK-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H33NO3/c1-16-12-8-6-5-7-11-15-20(17(21)14-10-9-13-16)18(22)23-19(2,3)4/h13H,5-12,14-15H2,1-4H3/b16-13-.
What are the key properties of tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate?
tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6Z)-7-methyl-2-oxo-1-azacyclotetradec-6-ene-1-carboxylate is sourced from PubChem (CID 163319787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).