tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate

C12H20N2O3 — CID 74817225

IUPACtert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate
SMILESC=C=CN(C)C(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O3/c1-7-8-14(6)10(15)9(2)13-11(16)17-12(3,4)5/h8-9H,1H2,2-6H3,(H,13,16)
InChIKeyMNARVTQGNWLTGK-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.66
Rot. Bonds3

About tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 74817225) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID74817225
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate
SMILESC=C=CN(C)C(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O3/c1-7-8-14(6)10(15)9(2)13-11(16)17-12(3,4)5/h8-9H,1H2,2-6H3,(H,13,16)
InChIKeyMNARVTQGNWLTGK-UHFFFAOYSA-N
XLogP1.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate (CID 74817225) is tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate is C=C=CN(C)C(=O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is MNARVTQGNWLTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7-8-14(6)10(15)9(2)13-11(16)17-12(3,4)5/h8-9H,1H2,2-6H3,(H,13,16).
What are the key properties of tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 240.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[methyl(propa-1,2-dienyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 74817225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).