N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide

C19H32N2O2 — CID 3063913

IUPACN-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide
SMILESCC(C)(C)NC(=O)CC1C2C=CC(C2)C1CC(=O)NC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-18(2,3)20-16(22)10-14-12-7-8-13(9-12)15(14)11-17(23)21-19(4,5)6/h7-8,12-15H,9-11H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyAOIYXBHXSFVDJX-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.03
Rot. Bonds4

About N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide

N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide (PubChem CID 3063913) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide
PubChem CID3063913
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide
SMILESCC(C)(C)NC(=O)CC1C2C=CC(C2)C1CC(=O)NC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-18(2,3)20-16(22)10-14-12-7-8-13(9-12)15(14)11-17(23)21-19(4,5)6/h7-8,12-15H,9-11H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyAOIYXBHXSFVDJX-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Norbornene-2-acetamide, N-tert-butyl-3-cyanomethyl-
CID 3063912
5-Norbornene-2-propionamide, N-tert-butyl-2-(tert-butylcarbamoyl)-
CID 24840618
N-tert-butyl-3-(3-cyano-2-bicyclo[2.2.1]hept-5-enyl)propanamide
CID 297329
N-tert-butyl-3-[3-(tert-butylamino)-3-oxopropyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 297714
2-N,3-N-ditert-butylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 428695
2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 18622239
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-butylacetamide
CID 20649897
(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide
CID 20790219
N'-tert-butyl-3-(cyclopentylmethyl)-2-prop-2-enylbutanediamide
CID 22972635
2-[(E)-but-2-enyl]-N'-tert-butyl-3-[(2-methylcyclopropyl)methyl]butanediamide
CID 22972652
2-[(E)-but-2-enyl]-N'-tert-butyl-3-(cyclobutylmethyl)butanediamide
CID 22972654
2-[(E)-but-2-enyl]-N'-tert-butyl-3-(cyclopentylmethyl)butanediamide
CID 22972655

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide (CID 3063913) is N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide is CC(C)(C)NC(=O)CC1C2C=CC(C2)C1CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide?
The InChIKey is AOIYXBHXSFVDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-18(2,3)20-16(22)10-14-12-7-8-13(9-12)15(14)11-17(23)21-19(4,5)6/h7-8,12-15H,9-11H2,1-6H3,(H,20,22)(H,21,23).
What are the key properties of N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide?
N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide has a molecular weight of 320.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-2-bicyclo[2.2.1]hept-5-enyl]acetamide is sourced from PubChem (CID 3063913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).