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

C19H25NO3 — CID 2946426

IUPACN-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C19H25NO3/c1-12-6-7-14(23-5)13(10-12)20-16(22)19-9-8-18(4,15(21)11-19)17(19,2)3/h6-7,10H,8-9,11H2,1-5H3,(H,20,22)
InChIKeyFGENSCRHDKKOPP-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.73
Rot. Bonds3

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

N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2946426) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2946426
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C19H25NO3/c1-12-6-7-14(23-5)13(10-12)20-16(22)19-9-8-18(4,15(21)11-19)17(19,2)3/h6-7,10H,8-9,11H2,1-5H3,(H,20,22)
InChIKeyFGENSCRHDKKOPP-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide with MolForge

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Related Compounds

(1R,4R)-N-(5-chloro-2-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 50897869
4,7,7-trimethyl-3-oxo-N-(2,4,5-trichlorophenyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 4728366
N'-(2-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 4728349
[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 4-chloro-3-nitrobenzoate
CID 4714241
(1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 830270
1-carbamothioyl-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 80591589
(1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 7394494
N'-(4-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 4728354
N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731165
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981334
1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide
CID 18200173

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2946426) is N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is COc1ccc(C)cc1NC(=O)C12CCC(C)(C(=O)C1)C2(C)C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is FGENSCRHDKKOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-12-6-7-14(23-5)13(10-12)20-16(22)19-9-8-18(4,15(21)11-19)17(19,2)3/h6-7,10H,8-9,11H2,1-5H3,(H,20,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2946426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).