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

C16H28N2O3 — CID 84585193

IUPAC1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
SMILESCCOC1CC(NC(=O)NC(CCO)C2CC2)C12CCC2
InChIInChI=1S/C16H28N2O3/c1-2-21-14-10-13(16(14)7-3-8-16)18-15(20)17-12(6-9-19)11-4-5-11/h11-14,19H,2-10H2,1H3,(H2,17,18,20)
InChIKeyHMIRQPLIXWIMPJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.79
Rot. Bonds7

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

1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea (PubChem CID 84585193) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
PubChem CID84585193
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
SMILESCCOC1CC(NC(=O)NC(CCO)C2CC2)C12CCC2
InChIInChI=1S/C16H28N2O3/c1-2-21-14-10-13(16(14)7-3-8-16)18-15(20)17-12(6-9-19)11-4-5-11/h11-14,19H,2-10H2,1H3,(H2,17,18,20)
InChIKeyHMIRQPLIXWIMPJ-UHFFFAOYSA-N
XLogP1.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

1-Cyclopropyl-3-(3-ethoxyspiro[3.4]octan-1-yl)urea
CID 71926299
1-[2-[Cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
CID 71985666
1-(3-Ethoxyspiro[3.4]octan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 75376201
3-(2,2-Diethyl-3-methoxy-4-methylcyclobutyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 91651113
N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 102553591
1-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]urea
CID 164632389
1-(3-Ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 71847256
1-(2-Cyclopropyl-2-hydroxyethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
CID 71868144
1-Cyclopropyl-3-(3-ethoxyspiro[3.4]octan-1-yl)-1-(2-hydroxyethyl)urea
CID 71925613
1-[(1-Cyclopropylpyrrolidin-3-yl)methyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
CID 71925690
1-Cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
CID 75374470
1-(Cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea
CID 75375376

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The IUPAC name of 1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea (CID 84585193) is 1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea.
What is the SMILES notation for 1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The canonical SMILES for 1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea is CCOC1CC(NC(=O)NC(CCO)C2CC2)C12CCC2.
What is the InChIKey of 1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The InChIKey is HMIRQPLIXWIMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-21-14-10-13(16(14)7-3-8-16)18-15(20)17-12(6-9-19)11-4-5-11/h11-14,19H,2-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea has a molecular weight of 296.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-3-hydroxypropyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea is sourced from PubChem (CID 84585193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).