1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea

C16H28N2O3 — CID 84587621

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
SMILESCCOC1CC(NC(=O)NC(C)(CO)C2CC2)C12CCC2
InChIInChI=1S/C16H28N2O3/c1-3-21-13-9-12(16(13)7-4-8-16)17-14(20)18-15(2,10-19)11-5-6-11/h11-13,19H,3-10H2,1-2H3,(H2,17,18,20)
InChIKeyGHEGVGQLIVEYSK-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.79
Rot. Bonds6

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea (PubChem CID 84587621) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
PubChem CID84587621
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
SMILESCCOC1CC(NC(=O)NC(C)(CO)C2CC2)C12CCC2
InChIInChI=1S/C16H28N2O3/c1-3-21-13-9-12(16(13)7-4-8-16)17-14(20)18-15(2,10-19)11-5-6-11/h11-13,19H,3-10H2,1-2H3,(H2,17,18,20)
InChIKeyGHEGVGQLIVEYSK-UHFFFAOYSA-N
XLogP1.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea (CID 84587621) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea is CCOC1CC(NC(=O)NC(C)(CO)C2CC2)C12CCC2.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The InChIKey is GHEGVGQLIVEYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-21-13-9-12(16(13)7-4-8-16)17-14(20)18-15(2,10-19)11-5-6-11/h11-13,19H,3-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea has a molecular weight of 296.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea is sourced from PubChem (CID 84587621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).