ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate

C9H18N2O3 — CID 160936791

IUPACethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate
SMILESCCOC(=O)N(CC)C(=O)N(C)CC
InChIInChI=1S/C9H18N2O3/c1-5-10(4)8(12)11(6-2)9(13)14-7-3/h5-7H2,1-4H3
InChIKeyAQWCDTXVNLXGPB-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.54
Rot. Bonds3

About ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate

ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate (PubChem CID 160936791) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate
PubChem CID160936791
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate
SMILESCCOC(=O)N(CC)C(=O)N(C)CC
InChIInChI=1S/C9H18N2O3/c1-5-10(4)8(12)11(6-2)9(13)14-7-3/h5-7H2,1-4H3
InChIKeyAQWCDTXVNLXGPB-UHFFFAOYSA-N
XLogP1.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate?
The IUPAC name of ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate (CID 160936791) is ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate.
What is the SMILES notation for ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate?
The canonical SMILES for ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate is CCOC(=O)N(CC)C(=O)N(C)CC.
What is the InChIKey of ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate?
The InChIKey is AQWCDTXVNLXGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-10(4)8(12)11(6-2)9(13)14-7-3/h5-7H2,1-4H3.
What are the key properties of ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate?
ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate has a molecular weight of 202.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethyl-N-[ethyl(methyl)carbamoyl]carbamate is sourced from PubChem (CID 160936791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).