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

C23H25NO2 — CID 2949932

IUPAC4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)N(c3ccccc3)c3ccccc3)(CC1=O)C2(C)C
InChIInChI=1S/C23H25NO2/c1-21(2)22(3)14-15-23(21,16-19(22)25)20(26)24(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKeyNKGOWKBRWRLSPL-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.14
Rot. Bonds3

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

4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2949932) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2949932
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)N(c3ccccc3)c3ccccc3)(CC1=O)C2(C)C
InChIInChI=1S/C23H25NO2/c1-21(2)22(3)14-15-23(21,16-19(22)25)20(26)24(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKeyNKGOWKBRWRLSPL-UHFFFAOYSA-N
XLogP5.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide (CID 2949932) is 4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)N(c3ccccc3)c3ccccc3)(CC1=O)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is NKGOWKBRWRLSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-21(2)22(3)14-15-23(21,16-19(22)25)20(26)24(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3.
What are the key properties of 4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide?
4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2949932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).