tert-butyl N-(acetamidomethyl)carbamate

C8H16N2O3 — CID 5325897

IUPACtert-butyl N-(acetamidomethyl)carbamate
SMILESCC(=O)NCNC(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-6(11)9-5-10-7(12)13-8(2,3)4/h5H2,1-4H3,(H,9,11)(H,10,12)
InChIKeyVWULWTOZRRUIPG-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.60
Rot. Bonds2

About tert-butyl N-(acetamidomethyl)carbamate

tert-butyl N-(acetamidomethyl)carbamate (PubChem CID 5325897) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is tert-butyl N-(acetamidomethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(acetamidomethyl)carbamate
PubChem CID5325897
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nametert-butyl N-(acetamidomethyl)carbamate
SMILESCC(=O)NCNC(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-6(11)9-5-10-7(12)13-8(2,3)4/h5H2,1-4H3,(H,9,11)(H,10,12)
InChIKeyVWULWTOZRRUIPG-UHFFFAOYSA-N
XLogP0.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl N-(acetamidomethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(ethylaminomethyl)carbamate
CID 141447583
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-(trimethylsilylmethyl)carbamate
CID 45092007
tert-butyl N-[(2-aminoethylamino)methyl]carbamate
CID 170030361
tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
CID 144504271
CID 165117112
CID 165117112
tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 130120378
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
O-(2-acetamidoethyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
CID 121002948

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(acetamidomethyl)carbamate?
The IUPAC name of tert-butyl N-(acetamidomethyl)carbamate (CID 5325897) is tert-butyl N-(acetamidomethyl)carbamate.
What is the SMILES notation for tert-butyl N-(acetamidomethyl)carbamate?
The canonical SMILES for tert-butyl N-(acetamidomethyl)carbamate is CC(=O)NCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(acetamidomethyl)carbamate?
The InChIKey is VWULWTOZRRUIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(11)9-5-10-7(12)13-8(2,3)4/h5H2,1-4H3,(H,9,11)(H,10,12).
What are the key properties of tert-butyl N-(acetamidomethyl)carbamate?
tert-butyl N-(acetamidomethyl)carbamate has a molecular weight of 188.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(acetamidomethyl)carbamate is sourced from PubChem (CID 5325897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).