1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C24H25NO5 — CID 46871595

IUPAC1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCOc1ccc(C)cc1C(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C24H25NO5/c1-15-4-9-21(28-2)18(12-15)22(26)17-7-8-20-19(13-17)24(29-10-3-11-30-24)23(27)25(20)14-16-5-6-16/h4,7-9,12-13,16H,3,5-6,10-11,14H2,1-2H3
InChIKeyHXGOPZGRKCIIGO-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.58
Rot. Bonds5

About 1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 46871595) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID46871595
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCOc1ccc(C)cc1C(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C24H25NO5/c1-15-4-9-21(28-2)18(12-15)22(26)17-7-8-20-19(13-17)24(29-10-3-11-30-24)23(27)25(20)14-16-5-6-16/h4,7-9,12-13,16H,3,5-6,10-11,14H2,1-2H3
InChIKeyHXGOPZGRKCIIGO-UHFFFAOYSA-N
XLogP3.58
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46870278
1'-(cyclopropylmethyl)-5'-(2,6-dimethoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46870372
1'-(cyclopropylmethyl)-5'-(2-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46871508
5'-(3-chlorobenzoyl)-1'-(cyclopropylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46871346
1'-(cyclopropylmethyl)-5'-[3-(trifluoromethoxy)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46871427
1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 67532565
1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 90721733
1'-(cyclopropylmethyl)-5'-(3,5-dichlorophenyl)sulfanylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 67532350
1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 154292351
1'-(cyclopropylmethyl)-5'-[(2,5-dichlorophenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 91565461
5'-methyl-1'-[2-(3-methylphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 6457027
1'-(2-methylpropyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 91475727

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 46871595) is 1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is COc1ccc(C)cc1C(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is HXGOPZGRKCIIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-15-4-9-21(28-2)18(12-15)22(26)17-7-8-20-19(13-17)24(29-10-3-11-30-24)23(27)25(20)14-16-5-6-16/h4,7-9,12-13,16H,3,5-6,10-11,14H2,1-2H3.
What are the key properties of 1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 407.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 46871595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).