N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide

C18H23NO5 — CID 2981504

IUPACN-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)c1
InChIInChI=1S/C18H23NO5/c1-16(2)17(3)8-9-18(16,24-15(17)21)14(20)19-12-10-11(22-4)6-7-13(12)23-5/h6-7,10H,8-9H2,1-5H3,(H,19,20)
InChIKeyUFSCZZKBMVUKLB-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.76
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide

N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2981504) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2981504
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC NameN-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)c1
InChIInChI=1S/C18H23NO5/c1-16(2)17(3)8-9-18(16,24-15(17)21)14(20)19-12-10-11(22-4)6-7-13(12)23-5/h6-7,10H,8-9H2,1-5H3,(H,19,20)
InChIKeyUFSCZZKBMVUKLB-UHFFFAOYSA-N
XLogP2.76
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[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

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CID 2981504) is N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is COc1ccc(OC)c(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is UFSCZZKBMVUKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-16(2)17(3)8-9-18(16,24-15(17)21)14(20)19-12-10-11(22-4)6-7-13(12)23-5/h6-7,10H,8-9H2,1-5H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2981504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).