tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate

C15H28N2O4 — CID 134847477

IUPACtert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate
SMILESCON(C)C(=O)C(CC=C(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-11(2)9-10-12(13(18)17(7)20-8)16(6)14(19)21-15(3,4)5/h9,12H,10H2,1-8H3
InChIKeyPHIUFTMQUGEGIN-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.60
Rot. Bonds5

About tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate

tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate (PubChem CID 134847477) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate
PubChem CID134847477
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate
SMILESCON(C)C(=O)C(CC=C(C)C)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-11(2)9-10-12(13(18)17(7)20-8)16(6)14(19)21-15(3,4)5/h9,12H,10H2,1-8H3
InChIKeyPHIUFTMQUGEGIN-UHFFFAOYSA-N
XLogP2.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate (CID 134847477) is tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate is CON(C)C(=O)C(CC=C(C)C)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate?
The InChIKey is PHIUFTMQUGEGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)9-10-12(13(18)17(7)20-8)16(6)14(19)21-15(3,4)5/h9,12H,10H2,1-8H3.
What are the key properties of tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate?
tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate has a molecular weight of 300.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[methoxy(methyl)amino]-5-methyl-1-oxohex-4-en-2-yl]-N-methylcarbamate is sourced from PubChem (CID 134847477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).