tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate

C19H33NO3 — CID 143298046

IUPACtert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate
SMILESCCCCN(C(=O)OC(C)(C)C)C(C)CC1C(=O)C=CCC1C
InChIInChI=1S/C19H33NO3/c1-7-8-12-20(18(22)23-19(4,5)6)15(3)13-16-14(2)10-9-11-17(16)21/h9,11,14-16H,7-8,10,12-13H2,1-6H3
InChIKeyIVKRSEQMUDFUNO-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.58
Rot. Bonds6

About tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate

tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate (PubChem CID 143298046) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate
PubChem CID143298046
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Nametert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate
SMILESCCCCN(C(=O)OC(C)(C)C)C(C)CC1C(=O)C=CCC1C
InChIInChI=1S/C19H33NO3/c1-7-8-12-20(18(22)23-19(4,5)6)15(3)13-16-14(2)10-9-11-17(16)21/h9,11,14-16H,7-8,10,12-13H2,1-6H3
InChIKeyIVKRSEQMUDFUNO-UHFFFAOYSA-N
XLogP4.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate (CID 143298046) is tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate is CCCCN(C(=O)OC(C)(C)C)C(C)CC1C(=O)C=CCC1C.
What is the InChIKey of tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate?
The InChIKey is IVKRSEQMUDFUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-7-8-12-20(18(22)23-19(4,5)6)15(3)13-16-14(2)10-9-11-17(16)21/h9,11,14-16H,7-8,10,12-13H2,1-6H3.
What are the key properties of tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate?
tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate has a molecular weight of 323.48 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butyl-N-[1-(6-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 143298046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).