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

C22H24N2O3 — CID 67532565

IUPAC1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCN(c1ccccc1)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C22H24N2O3/c1-23(17-6-3-2-4-7-17)18-10-11-20-19(14-18)22(26-12-5-13-27-22)21(25)24(20)15-16-8-9-16/h2-4,6-7,10-11,14,16H,5,8-9,12-13,15H2,1H3
InChIKeyONLDBMBWOPSMMW-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.80
Rot. Bonds4

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

1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 67532565) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID67532565
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCN(c1ccccc1)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C22H24N2O3/c1-23(17-6-3-2-4-7-17)18-10-11-20-19(14-18)22(26-12-5-13-27-22)21(25)24(20)15-16-8-9-16/h2-4,6-7,10-11,14,16H,5,8-9,12-13,15H2,1H3
InChIKeyONLDBMBWOPSMMW-UHFFFAOYSA-N
XLogP3.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1'-(cyclopropylmethyl)-5'-phenylsulfanylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 67532221
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
1'-(cyclopropylmethyl)-5'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46870554
1'-(cyclopropylmethyl)-5'-(3,5-dichlorophenyl)sulfanylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 67532350
1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 90721733
1'-(cyclopropylmethyl)-5'-(4-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46871263
5'-(3-chlorobenzoyl)-1'-(cyclopropylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46871346
1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46871595
1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 154292351
1'-(cyclopropylmethyl)-5'-[3-(trifluoromethoxy)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46871427
1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46871591

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 67532565) is 1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one is CN(c1ccccc1)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is ONLDBMBWOPSMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-23(17-6-3-2-4-7-17)18-10-11-20-19(14-18)22(26-12-5-13-27-22)21(25)24(20)15-16-8-9-16/h2-4,6-7,10-11,14,16H,5,8-9,12-13,15H2,1H3.
What are the key properties of 1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 364.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 67532565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).