(3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate

C12H24N2O4 — CID 89073238

IUPAC(3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
SMILESCCOCC(C)COC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C12H24N2O4/c1-5-17-7-10(4)8-18-12(16)13-6-11(15)14-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyZOOMZSGACPYOLK-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.91
Rot. Bonds8

About (3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate

(3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate (PubChem CID 89073238) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is (3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Name(3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
PubChem CID89073238
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
SMILESCCOCC(C)COC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C12H24N2O4/c1-5-17-7-10(4)8-18-12(16)13-6-11(15)14-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyZOOMZSGACPYOLK-UHFFFAOYSA-N
XLogP0.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The IUPAC name of (3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate (CID 89073238) is (3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for (3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The canonical SMILES for (3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate is CCOCC(C)COC(=O)NCC(=O)NC(C)C.
What is the InChIKey of (3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The InChIKey is ZOOMZSGACPYOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-17-7-10(4)8-18-12(16)13-6-11(15)14-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of (3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
(3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate has a molecular weight of 260.33 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2-methylpropyl) N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 89073238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).