2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate

C11H22N2O4 — CID 4257104

IUPAC2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate
SMILESCOCCCNC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C11H22N2O4/c1-9(2)8-17-11(15)13-7-10(14)12-5-4-6-16-3/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyQJFNSIOMJJRHLA-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.52
Rot. Bonds8

About 2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate

2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate (PubChem CID 4257104) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate
PubChem CID4257104
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate
SMILESCOCCCNC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C11H22N2O4/c1-9(2)8-17-11(15)13-7-10(14)12-5-4-6-16-3/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyQJFNSIOMJJRHLA-UHFFFAOYSA-N
XLogP0.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate (CID 4257104) is 2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate is COCCCNC(=O)CNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate?
The InChIKey is QJFNSIOMJJRHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-9(2)8-17-11(15)13-7-10(14)12-5-4-6-16-3/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate?
2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate has a molecular weight of 246.31 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 4257104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).