ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate

C10H20N2O4 — CID 87491226

IUPACethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)N(CC)C(C)C(=O)NCOC
InChIInChI=1S/C10H20N2O4/c1-5-12(10(14)16-6-2)8(3)9(13)11-7-15-4/h8H,5-7H2,1-4H3,(H,11,13)
InChIKeyCONBCSYAKQFURW-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.57
Rot. Bonds6

About ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate

ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 87491226) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID87491226
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nameethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)N(CC)C(C)C(=O)NCOC
InChIInChI=1S/C10H20N2O4/c1-5-12(10(14)16-6-2)8(3)9(13)11-7-15-4/h8H,5-7H2,1-4H3,(H,11,13)
InChIKeyCONBCSYAKQFURW-UHFFFAOYSA-N
XLogP0.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate (CID 87491226) is ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate is CCOC(=O)N(CC)C(C)C(=O)NCOC.
What is the InChIKey of ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is CONBCSYAKQFURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-5-12(10(14)16-6-2)8(3)9(13)11-7-15-4/h8H,5-7H2,1-4H3,(H,11,13).
What are the key properties of ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate?
ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 232.28 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 87491226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).