3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide

C19H24N2O3 — CID 6594366

IUPAC3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)C(=O)N(NC(=O)CCc1ccccc1)C2=O
InChIInChI=1S/C19H24N2O3/c1-18(2)14-11-12-19(18,3)17(24)21(16(14)23)20-15(22)10-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,22)/t14-,19-/m0/s1
InChIKeyDGDJYPBLELLNNZ-LIRRHRJNSA-N
MW328.41 g/mol
LogP2.46
Rot. Bonds4

About 3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide

3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide (PubChem CID 6594366) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide
PubChem CID6594366
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)C(=O)N(NC(=O)CCc1ccccc1)C2=O
InChIInChI=1S/C19H24N2O3/c1-18(2)14-11-12-19(18,3)17(24)21(16(14)23)20-15(22)10-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,22)/t14-,19-/m0/s1
InChIKeyDGDJYPBLELLNNZ-LIRRHRJNSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide 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 3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide?
The IUPAC name of 3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide (CID 6594366) is 3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide is CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(NC(=O)CCc1ccccc1)C2=O.
What is the InChIKey of 3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide?
The InChIKey is DGDJYPBLELLNNZ-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-18(2)14-11-12-19(18,3)17(24)21(16(14)23)20-15(22)10-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,22)/t14-,19-/m0/s1.
What are the key properties of 3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide?
3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide has a molecular weight of 328.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanamide is sourced from PubChem (CID 6594366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).