3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea

C9H19N3O2 — CID 79153530

IUPAC3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea
SMILESCCOC1CC(N)C1NC(=O)N(C)C
InChIInChI=1S/C9H19N3O2/c1-4-14-7-5-6(10)8(7)11-9(13)12(2)3/h6-8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyVUHFTFAVEOUMJY-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.24
Rot. Bonds3

About 3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea

3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea (PubChem CID 79153530) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea
PubChem CID79153530
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea
SMILESCCOC1CC(N)C1NC(=O)N(C)C
InChIInChI=1S/C9H19N3O2/c1-4-14-7-5-6(10)8(7)11-9(13)12(2)3/h6-8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyVUHFTFAVEOUMJY-UHFFFAOYSA-N
XLogP-0.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea?
The IUPAC name of 3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea (CID 79153530) is 3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea is CCOC1CC(N)C1NC(=O)N(C)C.
What is the InChIKey of 3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea?
The InChIKey is VUHFTFAVEOUMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-14-7-5-6(10)8(7)11-9(13)12(2)3/h6-8H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea?
3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea has a molecular weight of 201.27 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea is sourced from PubChem (CID 79153530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).