ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate

C11H20N4O5 — CID 2841592

IUPACethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate
SMILESCCOC(=O)NC1C(NC(=O)OCC)N(C)C(=O)N1C
InChIInChI=1S/C11H20N4O5/c1-5-19-9(16)12-7-8(13-10(17)20-6-2)15(4)11(18)14(7)3/h7-8H,5-6H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyLNDFRMQBPSSIFA-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.13
Rot. Bonds4

About ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate

ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate (PubChem CID 2841592) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate
PubChem CID2841592
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Nameethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate
SMILESCCOC(=O)NC1C(NC(=O)OCC)N(C)C(=O)N1C
InChIInChI=1S/C11H20N4O5/c1-5-19-9(16)12-7-8(13-10(17)20-6-2)15(4)11(18)14(7)3/h7-8H,5-6H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyLNDFRMQBPSSIFA-UHFFFAOYSA-N
XLogP0.13
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate?
The IUPAC name of ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate (CID 2841592) is ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate is CCOC(=O)NC1C(NC(=O)OCC)N(C)C(=O)N1C.
What is the InChIKey of ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate?
The InChIKey is LNDFRMQBPSSIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-5-19-9(16)12-7-8(13-10(17)20-6-2)15(4)11(18)14(7)3/h7-8H,5-6H2,1-4H3,(H,12,16)(H,13,17).
What are the key properties of ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate?
ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate has a molecular weight of 288.30 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(ethoxycarbonylamino)-1,3-dimethyl-2-oxoimidazolidin-4-yl]carbamate is sourced from PubChem (CID 2841592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).