tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate

C10H20N2O4 — CID 10823469

IUPACtert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate
SMILESCON(C)C(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(14)11-7-6-8(13)12(4)15-5/h6-7H2,1-5H3,(H,11,14)
InChIKeySFDSZSRXXGFFEH-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.92
Rot. Bonds4

About tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate

tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate (PubChem CID 10823469) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate
PubChem CID10823469
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nametert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate
SMILESCON(C)C(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(14)11-7-6-8(13)12(4)15-5/h6-7H2,1-5H3,(H,11,14)
InChIKeySFDSZSRXXGFFEH-UHFFFAOYSA-N
XLogP0.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate (CID 10823469) is tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate is CON(C)C(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate?
The InChIKey is SFDSZSRXXGFFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)16-9(14)11-7-6-8(13)12(4)15-5/h6-7H2,1-5H3,(H,11,14).
What are the key properties of tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate has a molecular weight of 232.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 10823469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).