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

C18H23NO4 — CID 2945215

IUPACN-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C
InChIInChI=1S/C18H23NO4/c1-11-6-7-13(22-5)12(10-11)19-14(20)18-9-8-17(4,15(21)23-18)16(18,2)3/h6-7,10H,8-9H2,1-5H3,(H,19,20)
InChIKeyYCGJFIWFNGHVKJ-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.06
Rot. Bonds3

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

N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2945215) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2945215
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C
InChIInChI=1S/C18H23NO4/c1-11-6-7-13(22-5)12(10-11)19-14(20)18-9-8-17(4,15(21)23-18)16(18,2)3/h6-7,10H,8-9H2,1-5H3,(H,19,20)
InChIKeyYCGJFIWFNGHVKJ-UHFFFAOYSA-N
XLogP3.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxy-5-methylphenyl)-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

Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)oxolane-2-carboxamide
CID 2970365
N-(4-methoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 2942221
N-(3-methoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 2946380
3-[(5-Tert-butyl-2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3243526
3-[(2-Methoxy-5-methylanilino)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2932024
N-(2,5-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 2981504
N-(5-chloro-2-methoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 2982260
[2-(2-Methoxyanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 3578288
Propyl 3-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
CID 2922167
[2-(5-Tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2368243
[2-(2-Methoxy-5-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2343463
N-[2-Methoxy-4-[3-methoxy-4-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]phenyl]phenyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 3792822

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CID 2945215) is N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is COc1ccc(C)cc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is YCGJFIWFNGHVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11-6-7-13(22-5)12(10-11)19-14(20)18-9-8-17(4,15(21)23-18)16(18,2)3/h6-7,10H,8-9H2,1-5H3,(H,19,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 317.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2945215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).