N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide

C28H29N3O3 — CID 59016640

IUPACN-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)NN2C(c3cc(C)cc(C)c3)=NOC23CCc2ccccc2C3)c1C
InChIInChI=1S/C28H29N3O3/c1-18-14-19(2)16-23(15-18)26-30-34-28(13-12-21-8-5-6-9-22(21)17-28)31(26)29-27(32)24-10-7-11-25(33-4)20(24)3/h5-11,14-16H,12-13,17H2,1-4H3,(H,29,32)
InChIKeyTVGZQYNRHOMPAD-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.84
Rot. Bonds4

About N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide

N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide (PubChem CID 59016640) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide
PubChem CID59016640
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)NN2C(c3cc(C)cc(C)c3)=NOC23CCc2ccccc2C3)c1C
InChIInChI=1S/C28H29N3O3/c1-18-14-19(2)16-23(15-18)26-30-34-28(13-12-21-8-5-6-9-22(21)17-28)31(26)29-27(32)24-10-7-11-25(33-4)20(24)3/h5-11,14-16H,12-13,17H2,1-4H3,(H,29,32)
InChIKeyTVGZQYNRHOMPAD-UHFFFAOYSA-N
XLogP4.84
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide with MolForge

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Related Compounds

dipotassium;5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-amine;N-(5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-yl)-3-methoxy-2-methylbenzamide;hydride;methane;3-methoxy-2-methylbenzoyl chloride;oxido formate
CID 158346357
tert-butyl 4-(3,5-dimethylbenzoyl)-4-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
CID 59713394
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
N-[1-(3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl]-3-methoxy-2-methylbenzamide
CID 10065805
3-methoxy-2-methylbenzohydrazide
CID 45091273
3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide
CID 10385185
N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide
CID 11771754
methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
CID 122525050
N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide
CID 10066548
methyl 3-methoxy-2-methylbenzoate
CID 12527049
3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide
CID 122525023

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide?
The IUPAC name of N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide (CID 59016640) is N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide?
The canonical SMILES for N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide is COc1cccc(C(=O)NN2C(c3cc(C)cc(C)c3)=NOC23CCc2ccccc2C3)c1C.
What is the InChIKey of N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide?
The InChIKey is TVGZQYNRHOMPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-18-14-19(2)16-23(15-18)26-30-34-28(13-12-21-8-5-6-9-22(21)17-28)31(26)29-27(32)24-10-7-11-25(33-4)20(24)3/h5-11,14-16H,12-13,17H2,1-4H3,(H,29,32).
What are the key properties of N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide?
N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide has a molecular weight of 455.56 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylphenyl)spiro[1,2,4-oxadiazole-5,3'-2,4-dihydro-1H-naphthalene]-4-yl]-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 59016640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).