4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide

C26H36N2O2 — CID 143555889

IUPAC4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC2C=CC=CC(C2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C26H36N2O2/c1-20(2)14-17-27-25(30)26(3)16-13-22-11-7-8-12-23(19-22)24(29)28(26)18-15-21-9-5-4-6-10-21/h4-12,20,22-23H,13-19H2,1-3H3,(H,27,30)
InChIKeyMFWCPNNLXKMTJZ-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.52
Rot. Bonds7

About 4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide

4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide (PubChem CID 143555889) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide
PubChem CID143555889
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC2C=CC=CC(C2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C26H36N2O2/c1-20(2)14-17-27-25(30)26(3)16-13-22-11-7-8-12-23(19-22)24(29)28(26)18-15-21-9-5-4-6-10-21/h4-12,20,22-23H,13-19H2,1-3H3,(H,27,30)
InChIKeyMFWCPNNLXKMTJZ-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide (CID 143555889) is 4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide is CC(C)CCNC(=O)C1(C)CCC2C=CC=CC(C2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide?
The InChIKey is MFWCPNNLXKMTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-20(2)14-17-27-25(30)26(3)16-13-22-11-7-8-12-23(19-22)24(29)28(26)18-15-21-9-5-4-6-10-21/h4-12,20,22-23H,13-19H2,1-3H3,(H,27,30).
What are the key properties of 4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide?
4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide has a molecular weight of 408.59 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutyl)-2-oxo-3-(2-phenylethyl)-3-azabicyclo[5.4.1]dodeca-8,10-diene-4-carboxamide is sourced from PubChem (CID 143555889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).