7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide

C20H19NO3 — CID 18834395

IUPAC7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)C2CCC1(C(=O)Nc1cccc3ccccc13)C(=O)C2=O
InChIInChI=1S/C20H19NO3/c1-19(2)14-10-11-20(19,17(23)16(14)22)18(24)21-15-9-5-7-12-6-3-4-8-13(12)15/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKeyKAUGCAKMNGVTJK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.35
Rot. Bonds2

About 7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide

7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 18834395) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID18834395
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)C2CCC1(C(=O)Nc1cccc3ccccc13)C(=O)C2=O
InChIInChI=1S/C20H19NO3/c1-19(2)14-10-11-20(19,17(23)16(14)22)18(24)21-15-9-5-7-12-6-3-4-8-13(12)15/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKeyKAUGCAKMNGVTJK-UHFFFAOYSA-N
XLogP3.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(1R,4R)-7,7-dimethyl-2,3-dioxo-N-[2-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 7335430
(1S,4R)-7,7-dimethyl-2,3-dioxo-N-[2-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 23376338
N-ethyl-7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834450
(1R,4S)-N-(2-bromo-4-fluorophenyl)-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 98077743
2-bromo-4,7,7-trimethyl-N-naphthalen-1-yl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 5177774
N'-(3-chlorobenzoyl)-7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 18834437
1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
2-methyl-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 104596031
N-(2-chlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834563
1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide
CID 142413600
(3E)-1,7,7-trimethyl-3-[(naphthalen-1-ylamino)methylidene]bicyclo[2.2.1]heptan-2-one
CID 6157064
N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
CID 32618502

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide (CID 18834395) is 7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide is CC1(C)C2CCC1(C(=O)Nc1cccc3ccccc13)C(=O)C2=O.
What is the InChIKey of 7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is KAUGCAKMNGVTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-19(2)14-10-11-20(19,17(23)16(14)22)18(24)21-15-9-5-7-12-6-3-4-8-13(12)15/h3-9,14H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide?
7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 18834395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).