1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea

C16H28N2O3 — CID 75375376

IUPAC1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea
SMILESCCOC1CC(NC(=O)N(CCO)CC2CC2)C12CCC2
InChIInChI=1S/C16H28N2O3/c1-2-21-14-10-13(16(14)6-3-7-16)17-15(20)18(8-9-19)11-12-4-5-12/h12-14,19H,2-11H2,1H3,(H,17,20)
InChIKeyIUBBOFZIUXQMND-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.75
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea

1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea (PubChem CID 75375376) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea
PubChem CID75375376
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea
SMILESCCOC1CC(NC(=O)N(CCO)CC2CC2)C12CCC2
InChIInChI=1S/C16H28N2O3/c1-2-21-14-10-13(16(14)6-3-7-16)17-15(20)18(8-9-19)11-12-4-5-12/h12-14,19H,2-11H2,1H3,(H,17,20)
InChIKeyIUBBOFZIUXQMND-UHFFFAOYSA-N
XLogP1.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea (CID 75375376) is 1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea is CCOC1CC(NC(=O)N(CCO)CC2CC2)C12CCC2.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea?
The InChIKey is IUBBOFZIUXQMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-21-14-10-13(16(14)6-3-7-16)17-15(20)18(8-9-19)11-12-4-5-12/h12-14,19H,2-11H2,1H3,(H,17,20).
What are the key properties of 1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea?
1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea has a molecular weight of 296.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 75375376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).