N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C25H29NO2 — CID 2921356

IUPACN,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)(CC1=O)C2(C)C
InChIInChI=1S/C25H29NO2/c1-23(2)24(3)14-15-25(23,16-21(24)27)22(28)26(17-19-10-6-4-7-11-19)18-20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3
InChIKeyPEGKENISTPFJTH-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.00
Rot. Bonds5

About N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2921356) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2921356
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)(CC1=O)C2(C)C
InChIInChI=1S/C25H29NO2/c1-23(2)24(3)14-15-25(23,16-21(24)27)22(28)26(17-19-10-6-4-7-11-19)18-20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3
InChIKeyPEGKENISTPFJTH-UHFFFAOYSA-N
XLogP5.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-4,5,6,7-tetraphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
CID 2833385
(1S,4R)-1-(4-benzylpiperidine-1-carbonyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
CID 2942010
N-benzyl-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2951199
(1S)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one
CID 44351004
4-(3,4-Dihydro-2(1H)-isoquinolinylcarbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2898163
(1R)-7,7-dimethyl-1-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)bicyclo[2.2.1]heptan-2-one
CID 71456175
Cox-2-IN-12
CID 139259783
N-[(4-fluorophenyl)methyl](4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptyl)carboxami de
CID 2975074
1-Benzyl-3-(5-methyl-2-oxocyclohexyl)pyrrolidine-2,5-dione
CID 162671565
(1S,4R,5R,6S)-1'-benzyl-6-(4-fluorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,4'-pyrrolidine]-2',3'-dione
CID 132545660
(1S,4S)-N-ethyl-4,7,7-trimethyl-3-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 2981688
4,7,7-trimethyl-N-(4-methylbenzyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2984501

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2921356) is N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)(CC1=O)C2(C)C.
What is the InChIKey of N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is PEGKENISTPFJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-23(2)24(3)14-15-25(23,16-21(24)27)22(28)26(17-19-10-6-4-7-11-19)18-20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3.
What are the key properties of N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2921356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).