N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide

C19H31N5O2 — CID 20609974

IUPACN-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C)CC(=O)N1C2CCC1CC(n1c(C)nnc1C(C)C)C2
InChIInChI=1S/C19H31N5O2/c1-11(2)19-22-21-13(4)23(19)17-9-15-6-7-16(10-17)24(15)18(26)8-12(3)20-14(5)25/h11-12,15-17H,6-10H2,1-5H3,(H,20,25)
InChIKeyDHBFEHCENIYZIT-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.32
Rot. Bonds5

About N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide

N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide (PubChem CID 20609974) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide
PubChem CID20609974
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C)CC(=O)N1C2CCC1CC(n1c(C)nnc1C(C)C)C2
InChIInChI=1S/C19H31N5O2/c1-11(2)19-22-21-13(4)23(19)17-9-15-6-7-16(10-17)24(15)18(26)8-12(3)20-14(5)25/h11-12,15-17H,6-10H2,1-5H3,(H,20,25)
InChIKeyDHBFEHCENIYZIT-UHFFFAOYSA-N
XLogP2.32
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide?
The IUPAC name of N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide (CID 20609974) is N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide is CC(=O)NC(C)CC(=O)N1C2CCC1CC(n1c(C)nnc1C(C)C)C2.
What is the InChIKey of N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide?
The InChIKey is DHBFEHCENIYZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-11(2)19-22-21-13(4)23(19)17-9-15-6-7-16(10-17)24(15)18(26)8-12(3)20-14(5)25/h11-12,15-17H,6-10H2,1-5H3,(H,20,25).
What are the key properties of N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide?
N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-oxobutan-2-yl]acetamide is sourced from PubChem (CID 20609974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).