3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide

C25H29NO5 — CID 122525023

IUPAC3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide
SMILESCOc1cccc(C(=O)NC2(C(=O)c3cccc(C)c3)CCC3(CC2)OCCO3)c1C
InChIInChI=1S/C25H29NO5/c1-17-6-4-7-19(16-17)22(27)24(10-12-25(13-11-24)30-14-15-31-25)26-23(28)20-8-5-9-21(29-3)18(20)2/h4-9,16H,10-15H2,1-3H3,(H,26,28)
InChIKeyGVIHOANADQQAPC-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.98
Rot. Bonds5

About 3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide

3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide (PubChem CID 122525023) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide
PubChem CID122525023
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide
SMILESCOc1cccc(C(=O)NC2(C(=O)c3cccc(C)c3)CCC3(CC2)OCCO3)c1C
InChIInChI=1S/C25H29NO5/c1-17-6-4-7-19(16-17)22(27)24(10-12-25(13-11-24)30-14-15-31-25)26-23(28)20-8-5-9-21(29-3)18(20)2/h4-9,16H,10-15H2,1-3H3,(H,26,28)
InChIKeyGVIHOANADQQAPC-UHFFFAOYSA-N
XLogP3.98
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide with MolForge

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Related Compounds

N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide
CID 10066548
tert-butyl 4-(3,5-dimethylbenzoyl)-4-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
CID 59713394
methyl 3-(3,5-dimethylbenzoyl)-3-[(3-methoxy-2-methylbenzoyl)amino]piperidine-1-carboxylate
CID 122525050
3-methoxy-N-[1-(2-methoxybenzoyl)cyclohexyl]-2-methylbenzamide
CID 10385185
N-methoxymethanamine;3-methoxy-N-[1-[methoxy(methyl)carbamoyl]cyclopropyl]-2-methylbenzamide;5-(3-methoxy-2-methylphenyl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one;hydrochloride
CID 159966651
N-[1-(3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl]-3-methoxy-2-methylbenzamide
CID 10065805
3-methoxy-2-methylbenzohydrazide
CID 45091273
N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide
CID 11771754
methyl 1-(3-methylbenzoyl)cyclobutane-1-carboxylate
CID 116922080
1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 82826865
(4-methoxyoxan-4-yl)-(3-methylphenyl)methanone
CID 116748760
(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide?
The IUPAC name of 3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide (CID 122525023) is 3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide?
The canonical SMILES for 3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide is COc1cccc(C(=O)NC2(C(=O)c3cccc(C)c3)CCC3(CC2)OCCO3)c1C.
What is the InChIKey of 3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide?
The InChIKey is GVIHOANADQQAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c1-17-6-4-7-19(16-17)22(27)24(10-12-25(13-11-24)30-14-15-31-25)26-23(28)20-8-5-9-21(29-3)18(20)2/h4-9,16H,10-15H2,1-3H3,(H,26,28).
What are the key properties of 3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide?
3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide has a molecular weight of 423.51 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[8-(3-methylbenzoyl)-1,4-dioxaspiro[4.5]decan-8-yl]benzamide is sourced from PubChem (CID 122525023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).