ethane;ethyl acetate;urea

C7H18N2O3 — CID 142544694

IUPACethane;ethyl acetate;urea
SMILESCC.CCOC(C)=O.NC(N)=O
InChIInChI=1S/C4H8O2.C2H6.CH4N2O/c1-3-6-4(2)5;1-2;2-1(3)4/h3H2,1-2H3;1-2H3;(H4,2,3,4)
InChIKeyHRLZFQGVROAHNE-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.62
Rot. Bonds1

About ethane;ethyl acetate;urea

ethane;ethyl acetate;urea (PubChem CID 142544694) has the molecular formula C7H18N2O3 and a molecular weight of 178.23 g/mol. Its IUPAC name is ethane;ethyl acetate;urea.

Molecular Properties

Compound Nameethane;ethyl acetate;urea
PubChem CID142544694
Molecular FormulaC7H18N2O3
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Nameethane;ethyl acetate;urea
SMILESCC.CCOC(C)=O.NC(N)=O
InChIInChI=1S/C4H8O2.C2H6.CH4N2O/c1-3-6-4(2)5;1-2;2-1(3)4/h3H2,1-2H3;1-2H3;(H4,2,3,4)
InChIKeyHRLZFQGVROAHNE-UHFFFAOYSA-N
XLogP0.62
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;ethyl acetate;urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
CID 157409555
CID 157409555

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl acetate;urea?
The IUPAC name of ethane;ethyl acetate;urea (CID 142544694) is ethane;ethyl acetate;urea.
What is the SMILES notation for ethane;ethyl acetate;urea?
The canonical SMILES for ethane;ethyl acetate;urea is CC.CCOC(C)=O.NC(N)=O.
What is the InChIKey of ethane;ethyl acetate;urea?
The InChIKey is HRLZFQGVROAHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H6.CH4N2O/c1-3-6-4(2)5;1-2;2-1(3)4/h3H2,1-2H3;1-2H3;(H4,2,3,4).
What are the key properties of ethane;ethyl acetate;urea?
ethane;ethyl acetate;urea has a molecular weight of 178.23 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl acetate;urea is sourced from PubChem (CID 142544694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).