9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

C17H29N3O2 — CID 118742203

IUPAC9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCC(=O)N1CCC2(CC1)CN(CC(C)C)CC21CCNC1=O
InChIInChI=1S/C17H29N3O2/c1-13(2)10-19-11-16(5-8-20(9-6-16)14(3)21)17(12-19)4-7-18-15(17)22/h13H,4-12H2,1-3H3,(H,18,22)
InChIKeyRYZMZHQJJQCEIJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.09
Rot. Bonds2

About 9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (PubChem CID 118742203) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.

Molecular Properties

Compound Name9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
PubChem CID118742203
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCC(=O)N1CCC2(CC1)CN(CC(C)C)CC21CCNC1=O
InChIInChI=1S/C17H29N3O2/c1-13(2)10-19-11-16(5-8-20(9-6-16)14(3)21)17(12-19)4-7-18-15(17)22/h13H,4-12H2,1-3H3,(H,18,22)
InChIKeyRYZMZHQJJQCEIJ-UHFFFAOYSA-N
XLogP1.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The IUPAC name of 9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (CID 118742203) is 9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.
What is the SMILES notation for 9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The canonical SMILES for 9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is CC(=O)N1CCC2(CC1)CN(CC(C)C)CC21CCNC1=O.
What is the InChIKey of 9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The InChIKey is RYZMZHQJJQCEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)10-19-11-16(5-8-20(9-6-16)14(3)21)17(12-19)4-7-18-15(17)22/h13H,4-12H2,1-3H3,(H,18,22).
What are the key properties of 9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one has a molecular weight of 307.44 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is sourced from PubChem (CID 118742203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).