N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide

C25H30N2O3 — CID 59364416

IUPACN-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide
SMILESCN(CCCOc1ccccc1)C1C2CCC1C(NC(=O)C(=O)c1ccccc1)C2
InChIInChI=1S/C25H30N2O3/c1-27(15-8-16-30-20-11-6-3-7-12-20)23-19-13-14-21(23)22(17-19)26-25(29)24(28)18-9-4-2-5-10-18/h2-7,9-12,19,21-23H,8,13-17H2,1H3,(H,26,29)
InChIKeyWWVRYXKIURVKPY-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.55
Rot. Bonds9

About N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide

N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide (PubChem CID 59364416) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide
PubChem CID59364416
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide
SMILESCN(CCCOc1ccccc1)C1C2CCC1C(NC(=O)C(=O)c1ccccc1)C2
InChIInChI=1S/C25H30N2O3/c1-27(15-8-16-30-20-11-6-3-7-12-20)23-19-13-14-21(23)22(17-19)26-25(29)24(28)18-9-4-2-5-10-18/h2-7,9-12,19,21-23H,8,13-17H2,1H3,(H,26,29)
InChIKeyWWVRYXKIURVKPY-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide?
The IUPAC name of N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide (CID 59364416) is N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide?
The canonical SMILES for N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide is CN(CCCOc1ccccc1)C1C2CCC1C(NC(=O)C(=O)c1ccccc1)C2.
What is the InChIKey of N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide?
The InChIKey is WWVRYXKIURVKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-27(15-8-16-30-20-11-6-3-7-12-20)23-19-13-14-21(23)22(17-19)26-25(29)24(28)18-9-4-2-5-10-18/h2-7,9-12,19,21-23H,8,13-17H2,1H3,(H,26,29).
What are the key properties of N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide?
N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide has a molecular weight of 406.53 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide is sourced from PubChem (CID 59364416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).