1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea

C23H29N3O — CID 3217188

IUPAC1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILESO=C(NCc1ccccc1)NC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H29N3O/c27-23(24-16-18-8-3-1-4-9-18)25-20-14-21-12-7-13-22(15-20)26(21)17-19-10-5-2-6-11-19/h1-6,8-11,20-22H,7,12-17H2,(H2,24,25,27)
InChIKeyARAJATJJJRLDAZ-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.07
Rot. Bonds5

About 1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea

1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea (PubChem CID 3217188) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
PubChem CID3217188
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILESO=C(NCc1ccccc1)NC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H29N3O/c27-23(24-16-18-8-3-1-4-9-18)25-20-14-21-12-7-13-22(15-20)26(21)17-19-10-5-2-6-11-19/h1-6,8-11,20-22H,7,12-17H2,(H2,24,25,27)
InChIKeyARAJATJJJRLDAZ-UHFFFAOYSA-N
XLogP4.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The IUPAC name of 1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea (CID 3217188) is 1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea.
What is the SMILES notation for 1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The canonical SMILES for 1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea is O=C(NCc1ccccc1)NC1CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The InChIKey is ARAJATJJJRLDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(24-16-18-8-3-1-4-9-18)25-20-14-21-12-7-13-22(15-20)26(21)17-19-10-5-2-6-11-19/h1-6,8-11,20-22H,7,12-17H2,(H2,24,25,27).
What are the key properties of 1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea has a molecular weight of 363.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea is sourced from PubChem (CID 3217188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).