2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate

C8H16N2O3 — CID 20617620

IUPAC2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate
SMILESCCN(C)C(=O)NCCOC(C)=O
InChIInChI=1S/C8H16N2O3/c1-4-10(3)8(12)9-5-6-13-7(2)11/h4-6H2,1-3H3,(H,9,12)
InChIKeyHEDULWVVCVLJNX-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.21
Rot. Bonds4

About 2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate

2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate (PubChem CID 20617620) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate.

Molecular Properties

Compound Name2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate
PubChem CID20617620
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate
SMILESCCN(C)C(=O)NCCOC(C)=O
InChIInChI=1S/C8H16N2O3/c1-4-10(3)8(12)9-5-6-13-7(2)11/h4-6H2,1-3H3,(H,9,12)
InChIKeyHEDULWVVCVLJNX-UHFFFAOYSA-N
XLogP0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[ethyl(methyl)carbamoyl]amino]ethyl acetate?
The IUPAC name of 2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate (CID 20617620) is 2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate.
What is the SMILES notation for 2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate?
The canonical SMILES for 2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate is CCN(C)C(=O)NCCOC(C)=O.
What is the InChIKey of 2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate?
The InChIKey is HEDULWVVCVLJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-4-10(3)8(12)9-5-6-13-7(2)11/h4-6H2,1-3H3,(H,9,12).
What are the key properties of 2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate?
2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate has a molecular weight of 188.23 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methyl)carbamoyl]amino]ethyl acetate is sourced from PubChem (CID 20617620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).