tert-butyl N-acetyl-N-methylcarbamate

C8H15NO3 — CID 11052126

IUPACtert-butyl N-acetyl-N-methylcarbamate
SMILESCC(=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO3/c1-6(10)9(5)7(11)12-8(2,3)4/h1-5H3
InChIKeySJVPMSVWSYBZLH-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.40
Rot. Bonds

About tert-butyl N-acetyl-N-methylcarbamate

tert-butyl N-acetyl-N-methylcarbamate (PubChem CID 11052126) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is tert-butyl N-acetyl-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-acetyl-N-methylcarbamate
PubChem CID11052126
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nametert-butyl N-acetyl-N-methylcarbamate
SMILESCC(=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO3/c1-6(10)9(5)7(11)12-8(2,3)4/h1-5H3
InChIKeySJVPMSVWSYBZLH-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[acetyl(methyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 12030174
methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dioxopropanoate
CID 102192656
tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate
CID 58446238
tert-butyl N-methyl-N-(methylamino)carbamate
CID 10678541
tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate
CID 125496778
tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate
CID 11267907
tert-butyl N-methyl-N-methylsulfonylcarbamate
CID 57476619
tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 135140582
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
tert-butyl acetate
CID 159704758
tert-butyl N-methyl-N-[(E)-1-(methylamino)but-1-enyl]carbamate
CID 170975536
tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate
CID 154001260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-acetyl-N-methylcarbamate?
The IUPAC name of tert-butyl N-acetyl-N-methylcarbamate (CID 11052126) is tert-butyl N-acetyl-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-acetyl-N-methylcarbamate?
The canonical SMILES for tert-butyl N-acetyl-N-methylcarbamate is CC(=O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-acetyl-N-methylcarbamate?
The InChIKey is SJVPMSVWSYBZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(10)9(5)7(11)12-8(2,3)4/h1-5H3.
What are the key properties of tert-butyl N-acetyl-N-methylcarbamate?
tert-butyl N-acetyl-N-methylcarbamate has a molecular weight of 173.21 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-acetyl-N-methylcarbamate is sourced from PubChem (CID 11052126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).