N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide

C30H33N3O2 — CID 143000203

IUPACN-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide
SMILESCC1C=C2CC(C)CC(Cc3nc(-c4ccc(O)cc4)cnc3NC(=O)Cc3ccccc3)(C2)C1
InChIInChI=1S/C30H33N3O2/c1-20-12-23-13-21(2)16-30(15-20,17-23)18-26-29(33-28(35)14-22-6-4-3-5-7-22)31-19-27(32-26)24-8-10-25(34)11-9-24/h3-12,19-21,34H,13-18H2,1-2H3,(H,31,33,35)
InChIKeyJIDVONHGZAEOQN-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.35
Rot. Bonds6

About N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide

N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide (PubChem CID 143000203) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide
PubChem CID143000203
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC NameN-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide
SMILESCC1C=C2CC(C)CC(Cc3nc(-c4ccc(O)cc4)cnc3NC(=O)Cc3ccccc3)(C2)C1
InChIInChI=1S/C30H33N3O2/c1-20-12-23-13-21(2)16-30(15-20,17-23)18-26-29(33-28(35)14-22-6-4-3-5-7-22)31-19-27(32-26)24-8-10-25(34)11-9-24/h3-12,19-21,34H,13-18H2,1-2H3,(H,31,33,35)
InChIKeyJIDVONHGZAEOQN-UHFFFAOYSA-N
XLogP6.35
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide 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 N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide?
The IUPAC name of N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide (CID 143000203) is N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide is CC1C=C2CC(C)CC(Cc3nc(-c4ccc(O)cc4)cnc3NC(=O)Cc3ccccc3)(C2)C1.
What is the InChIKey of N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide?
The InChIKey is JIDVONHGZAEOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-20-12-23-13-21(2)16-30(15-20,17-23)18-26-29(33-28(35)14-22-6-4-3-5-7-22)31-19-27(32-26)24-8-10-25(34)11-9-24/h3-12,19-21,34H,13-18H2,1-2H3,(H,31,33,35).
What are the key properties of N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide?
N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide has a molecular weight of 467.61 g/mol, XLogP of 6.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,7-dimethyl-1-bicyclo[3.3.1]non-4-enyl)methyl]-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide is sourced from PubChem (CID 143000203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).