13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

C19H28FN3O3 — CID 131688492

IUPAC13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCCN1CCC2(CN(C(C)=O)CC23CCN(C(=O)C2(F)CC2)CC3)C1=O
InChIInChI=1S/C19H28FN3O3/c1-3-21-11-8-18(15(21)25)13-23(14(2)24)12-17(18)6-9-22(10-7-17)16(26)19(20)4-5-19/h3-13H2,1-2H3
InChIKeyOGZFUSBCSAYIDI-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.20
Rot. Bonds2

About 13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (PubChem CID 131688492) has the molecular formula C19H28FN3O3 and a molecular weight of 365.45 g/mol. Its IUPAC name is 13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.

Molecular Properties

Compound Name13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
PubChem CID131688492
Molecular FormulaC19H28FN3O3
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Name13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCCN1CCC2(CN(C(C)=O)CC23CCN(C(=O)C2(F)CC2)CC3)C1=O
InChIInChI=1S/C19H28FN3O3/c1-3-21-11-8-18(15(21)25)13-23(14(2)24)12-17(18)6-9-22(10-7-17)16(26)19(20)4-5-19/h3-13H2,1-2H3
InChIKeyOGZFUSBCSAYIDI-UHFFFAOYSA-N
XLogP1.20
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The IUPAC name of 13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (CID 131688492) is 13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.
What is the SMILES notation for 13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The canonical SMILES for 13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is CCN1CCC2(CN(C(C)=O)CC23CCN(C(=O)C2(F)CC2)CC3)C1=O.
What is the InChIKey of 13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The InChIKey is OGZFUSBCSAYIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O3/c1-3-21-11-8-18(15(21)25)13-23(14(2)24)12-17(18)6-9-22(10-7-17)16(26)19(20)4-5-19/h3-13H2,1-2H3.
What are the key properties of 13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one has a molecular weight of 365.45 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is sourced from PubChem (CID 131688492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).