N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C19H25NO2 — CID 2978235

IUPACN-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1cccc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)c1C
InChIInChI=1S/C19H25NO2/c1-12-7-6-8-14(13(12)2)20-16(22)19-10-9-18(5,15(21)11-19)17(19,3)4/h6-8H,9-11H2,1-5H3,(H,20,22)
InChIKeySPUVFAOYWLVLTQ-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.03
Rot. Bonds2

About N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2978235) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2978235
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1cccc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)c1C
InChIInChI=1S/C19H25NO2/c1-12-7-6-8-14(13(12)2)20-16(22)19-10-9-18(5,15(21)11-19)17(19,3)4/h6-8H,9-11H2,1-5H3,(H,20,22)
InChIKeySPUVFAOYWLVLTQ-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2978235) is N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is Cc1cccc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is SPUVFAOYWLVLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-12-7-6-8-14(13(12)2)20-16(22)19-10-9-18(5,15(21)11-19)17(19,3)4/h6-8H,9-11H2,1-5H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2978235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).