2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide

C25H24N2O2 — CID 3848524

IUPAC2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C25H24N2O2/c1-24(2)20-10-6-7-11-21(20)27(16-23(28)26-3)25(24)15-14-19-18-9-5-4-8-17(18)12-13-22(19)29-25/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyRZQMOBQJHLCVOO-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.49
Rot. Bonds2

About 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide

2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide (PubChem CID 3848524) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide
PubChem CID3848524
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C25H24N2O2/c1-24(2)20-10-6-7-11-21(20)27(16-23(28)26-3)25(24)15-14-19-18-9-5-4-8-17(18)12-13-22(19)29-25/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyRZQMOBQJHLCVOO-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methyl-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 52942615
2-(3',3'-Dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide
CID 3347797
(2S)-N-[(3S)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide;hydrochloride
CID 72712558
5-Methoxy-1,3,3-trimethylspiro(indoline-2,3'-(3H)naphtho(2,1-b)pyran)
CID 4418670
2-(3-(1-((4-methoxynaphthalen-1-yl)methyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
CID 46880239
7-Methyl-6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 52949885
(2S)-N-[(3S)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide
CID 72712559
US9611224, Example 47p
CID 72948189
1-(2,3-Dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone
CID 2999346
N-methyl-1-(2-(naphthalen-2-yloxy)acetyl)indoline-2-carboxamide
CID 18587975
1',3',3'-Trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
CID 19083901
1,3,3-Trimethylindolino-beta-naphthopyrylospiran
CID 2728827

Frequently Asked Questions

What is the IUPAC name of 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide?
The IUPAC name of 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide (CID 3848524) is 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide?
The canonical SMILES for 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide is CNC(=O)CN1c2ccccc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2.
What is the InChIKey of 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide?
The InChIKey is RZQMOBQJHLCVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-24(2)20-10-6-7-11-21(20)27(16-23(28)26-3)25(24)15-14-19-18-9-5-4-8-17(18)12-13-22(19)29-25/h4-15H,16H2,1-3H3,(H,26,28).
What are the key properties of 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide?
2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide has a molecular weight of 384.48 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)-N-methylacetamide is sourced from PubChem (CID 3848524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).