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

C25H24N2O2 — CID 2729897

IUPAC3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide
SMILESCC1(C)c2ccccc2N(CCC(N)=O)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C25H24N2O2/c1-24(2)20-9-5-6-10-21(20)27(16-14-23(26)28)25(24)15-13-19-18-8-4-3-7-17(18)11-12-22(19)29-25/h3-13,15H,14,16H2,1-2H3,(H2,26,28)
InChIKeyZIWLSXUIITVCGZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.61
Rot. Bonds3

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

3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide (PubChem CID 2729897) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide.

Molecular Properties

Compound Name3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide
PubChem CID2729897
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide
SMILESCC1(C)c2ccccc2N(CCC(N)=O)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C25H24N2O2/c1-24(2)20-9-5-6-10-21(20)27(16-14-23(26)28)25(24)15-13-19-18-8-4-3-7-17(18)11-12-22(19)29-25/h3-13,15H,14,16H2,1-2H3,(H2,26,28)
InChIKeyZIWLSXUIITVCGZ-UHFFFAOYSA-N
XLogP4.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3',3'-Dimethylspiro[chromene-2,2'-indole]-1'-yl)acetamide
CID 3347797
5-Methoxy-1,3,3-trimethylspiro(indoline-2,3'-(3H)naphtho(2,1-b)pyran)
CID 4418670
1-(2,3-Dihydroindol-1-yl)-2-[1-(morpholin-4-ylmethyl)naphthalen-2-yl]oxyethanone
CID 2999346
5'-Chloro-1',3',3'-trimethyl-spiro[benzo[f]chromene-3,2'-indoline]
CID 3007724
1',3',3'-Trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
CID 19083901
1,3,3-Trimethylindolino-beta-naphthopyrylospiran
CID 2728827
5'-Methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]-9-ol
CID 162658215
1',3',3'-Trimethylspiro[benzo[g]chromene-2,2'-indole]
CID 2853337
1,3,3-Trimethylspiro[indoline-2,3'-[3H]-naphtho[2,1-b]pyran]
CID 1897521
Spiro[indoline-2,3'-naphthopyran]
CID 19083856
8-Bromo-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
CID 19084451
1'-Hexyl-3',3'-dimethyl-6,8-bis(trifluoromethyl)spiro[benzo[f]chromene-3,2'-indole]
CID 58596581

Frequently Asked Questions

What is the IUPAC name of 3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide?
The IUPAC name of 3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide (CID 2729897) is 3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide.
What is the SMILES notation for 3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide?
The canonical SMILES for 3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide is CC1(C)c2ccccc2N(CCC(N)=O)C12C=Cc1c(ccc3ccccc13)O2.
What is the InChIKey of 3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide?
The InChIKey is ZIWLSXUIITVCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-24(2)20-9-5-6-10-21(20)27(16-14-23(26)28)25(24)15-13-19-18-8-4-3-7-17(18)11-12-22(19)29-25/h3-13,15H,14,16H2,1-2H3,(H2,26,28).
What are the key properties of 3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide?
3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3',3'-dimethylspiro[benzo[f]chromene-3,2'-indole]-1'-yl)propanamide is sourced from PubChem (CID 2729897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).