Tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate

C10H20N2O3 — CID 24688959

IUPACtert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate
SMILESCNC(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-5-6-8(13)11-4/h5-7H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyPQPONGDURKQRSZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.04
Rot. Bonds4

About Tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate

Tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate (PubChem CID 24688959) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate.

Molecular Properties

Compound NameTert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate
PubChem CID24688959
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate
SMILESCNC(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-5-6-8(13)11-4/h5-7H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyPQPONGDURKQRSZ-UHFFFAOYSA-N
XLogP1.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate?
The IUPAC name of Tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate (CID 24688959) is tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate.
What is the SMILES notation for Tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate?
The canonical SMILES for Tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate is CNC(=O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of Tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate?
The InChIKey is PQPONGDURKQRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-5-6-8(13)11-4/h5-7H2,1-4H3,(H,11,13)(H,12,14).
What are the key properties of Tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate?
Tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[4-(methylamino)-4-oxobutyl]carbamate is sourced from PubChem (CID 24688959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).