1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea

C19H33N3O2 — CID 71925638

IUPAC1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILESCCOC1CC(NC(=O)NC2CC3CCCC(C2)N3C)C12CCC2
InChIInChI=1S/C19H33N3O2/c1-3-24-17-12-16(19(17)8-5-9-19)21-18(23)20-13-10-14-6-4-7-15(11-13)22(14)2/h13-17H,3-12H2,1-2H3,(H2,20,21,23)
InChIKeyUPDJKBVAKLYKKP-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.65
Rot. Bonds4

About 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea

1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea (PubChem CID 71925638) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
PubChem CID71925638
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILESCCOC1CC(NC(=O)NC2CC3CCCC(C2)N3C)C12CCC2
InChIInChI=1S/C19H33N3O2/c1-3-24-17-12-16(19(17)8-5-9-19)21-18(23)20-13-10-14-6-4-7-15(11-13)22(14)2/h13-17H,3-12H2,1-2H3,(H2,20,21,23)
InChIKeyUPDJKBVAKLYKKP-UHFFFAOYSA-N
XLogP2.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea with MolForge

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Related Compounds

1-(1-Cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea
CID 71870013
N-(3-ethoxyspiro[3.3]heptan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471991
1-(3-Ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea
CID 71861170
N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71985644
1-(3-Ethoxyspiro[3.3]heptan-1-yl)-3-[1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 71985676
1-[(1,4-Dimethylpiperazin-2-yl)methyl]-3-(3-ethoxyspiro[3.4]octan-1-yl)urea
CID 72116455
1-(3-Methoxy-2,2,3-trimethylcyclobutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 75375395
4-[(3-Ethoxyspiro[3.3]heptan-1-yl)amino]piperidine-1-carboxamide
CID 75383307
4-[(3-Ethoxyspiro[3.4]octan-1-yl)amino]piperidine-1-carboxamide
CID 75383331
1-[(2-Tert-butyloxan-3-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 91643009
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 95967374
N-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 95967375

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The IUPAC name of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea (CID 71925638) is 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea.
What is the SMILES notation for 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The canonical SMILES for 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea is CCOC1CC(NC(=O)NC2CC3CCCC(C2)N3C)C12CCC2.
What is the InChIKey of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The InChIKey is UPDJKBVAKLYKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-3-24-17-12-16(19(17)8-5-9-19)21-18(23)20-13-10-14-6-4-7-15(11-13)22(14)2/h13-17H,3-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea has a molecular weight of 335.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea is sourced from PubChem (CID 71925638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).