N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

C21H28N2O4 — CID 4731165

IUPACN-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)N(C)C2=O
InChIInChI=1S/C21H28N2O4/c1-13-7-8-15(27-6)14(9-13)22-16(24)19(2)10-20(3)12-21(4,11-19)18(26)23(5)17(20)25/h7-9H,10-12H2,1-6H3,(H,22,24)
InChIKeyUNYMQSPOEUAQFE-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.14
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731165) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731165
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)N(C)C2=O
InChIInChI=1S/C21H28N2O4/c1-13-7-8-15(27-6)14(9-13)22-16(24)19(2)10-20(3)12-21(4,11-19)18(26)23(5)17(20)25/h7-9H,10-12H2,1-6H3,(H,22,24)
InChIKeyUNYMQSPOEUAQFE-UHFFFAOYSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 2946426
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ethane;(2-methoxy-5-methylphenyl)urea
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CID 1447930
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CID 108981334
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CID 75537653
1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide
CID 18200173
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CID 28807979

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731165) is N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is COc1ccc(C)cc1NC(=O)C1(C)CC2(C)CC(C)(C1)C(=O)N(C)C2=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is UNYMQSPOEUAQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-13-7-8-15(27-6)14(9-13)22-16(24)19(2)10-20(3)12-21(4,11-19)18(26)23(5)17(20)25/h7-9H,10-12H2,1-6H3,(H,22,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
N-(2-methoxy-5-methylphenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.14, 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)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).