N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide

C19H25NO2 — CID 2981688

IUPACN-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(C(=O)C12CCC(C)(C(=O)C1)C2(C)C)c1ccccc1
InChIInChI=1S/C19H25NO2/c1-5-20(14-9-7-6-8-10-14)16(22)19-12-11-18(4,15(21)13-19)17(19,2)3/h6-10H,5,11-13H2,1-4H3
InChIKeyXESKLOIXNRTXCD-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.83
Rot. Bonds3

About N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide

N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2981688) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2981688
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(C(=O)C12CCC(C)(C(=O)C1)C2(C)C)c1ccccc1
InChIInChI=1S/C19H25NO2/c1-5-20(14-9-7-6-8-10-14)16(22)19-12-11-18(4,15(21)13-19)17(19,2)3/h6-10H,5,11-13H2,1-4H3
InChIKeyXESKLOIXNRTXCD-UHFFFAOYSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide (CID 2981688) is N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide is CCN(C(=O)C12CCC(C)(C(=O)C1)C2(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is XESKLOIXNRTXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-5-20(14-9-7-6-8-10-14)16(22)19-12-11-18(4,15(21)13-19)17(19,2)3/h6-10H,5,11-13H2,1-4H3.
What are the key properties of N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide?
N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2981688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).