tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate

C12H24N2O3 — CID 24688735

IUPACtert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
SMILESCCN(CC)C(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-7-14(8-2)10(15)9(3)13-11(16)17-12(4,5)6/h9H,7-8H2,1-6H3,(H,13,16)
InChIKeyFBEGTFJEBZBFOO-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.77
Rot. Bonds4

About tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 24688735) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID24688735
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
SMILESCCN(CC)C(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-7-14(8-2)10(15)9(3)13-11(16)17-12(4,5)6/h9H,7-8H2,1-6H3,(H,13,16)
InChIKeyFBEGTFJEBZBFOO-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate (CID 24688735) is tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate is CCN(CC)C(=O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is FBEGTFJEBZBFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7-14(8-2)10(15)9(3)13-11(16)17-12(4,5)6/h9H,7-8H2,1-6H3,(H,13,16).
What are the key properties of tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 24688735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).