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

C19H25NO4 — CID 2978869

IUPACN-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)c1
InChIInChI=1S/C19H25NO4/c1-17(2)18(3)8-9-19(17,11-15(18)21)16(22)20-13-10-12(23-4)6-7-14(13)24-5/h6-7,10H,8-9,11H2,1-5H3,(H,20,22)
InChIKeyMYCDCMDYARPMII-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.43
Rot. Bonds4

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

N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2978869) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2978869
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)c1
InChIInChI=1S/C19H25NO4/c1-17(2)18(3)8-9-19(17,11-15(18)21)16(22)20-13-10-12(23-4)6-7-14(13)24-5/h6-7,10H,8-9,11H2,1-5H3,(H,20,22)
InChIKeyMYCDCMDYARPMII-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2978869) is N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is COc1ccc(OC)c(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is MYCDCMDYARPMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-17(2)18(3)8-9-19(17,11-15(18)21)16(22)20-13-10-12(23-4)6-7-14(13)24-5/h6-7,10H,8-9,11H2,1-5H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2978869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).