4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide

C27H25NO2 — CID 71240732

IUPAC4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C[C@@]2(C3=Cc4ccccc4C3)Cc3ccccc3[C@H]2O)cc1
InChIInChI=1S/C27H25NO2/c1-28-26(30)19-12-10-18(11-13-19)16-27(17-22-8-4-5-9-24(22)25(27)29)23-14-20-6-2-3-7-21(20)15-23/h2-14,25,29H,15-17H2,1H3,(H,28,30)/t25-,27+/m1/s1
InChIKeyZLVAGHUZVSIYSK-VPUSJEBWSA-N
MW395.50 g/mol
LogP4.50
Rot. Bonds4

About 4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide

4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide (PubChem CID 71240732) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide
PubChem CID71240732
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C[C@@]2(C3=Cc4ccccc4C3)Cc3ccccc3[C@H]2O)cc1
InChIInChI=1S/C27H25NO2/c1-28-26(30)19-12-10-18(11-13-19)16-27(17-22-8-4-5-9-24(22)25(27)29)23-14-20-6-2-3-7-21(20)15-23/h2-14,25,29H,15-17H2,1H3,(H,28,30)/t25-,27+/m1/s1
InChIKeyZLVAGHUZVSIYSK-VPUSJEBWSA-N
XLogP4.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
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3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
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CID 59493216
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CID 76313931
(8R,9S,13S,14S,16R,17S)-16-[(3-carbamoylphenyl)methyl]-17-hydroxy-N,N,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide (CID 71240732) is 4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide is CNC(=O)c1ccc(C[C@@]2(C3=Cc4ccccc4C3)Cc3ccccc3[C@H]2O)cc1.
What is the InChIKey of 4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide?
The InChIKey is ZLVAGHUZVSIYSK-VPUSJEBWSA-N. The full InChI is InChI=1S/C27H25NO2/c1-28-26(30)19-12-10-18(11-13-19)16-27(17-22-8-4-5-9-24(22)25(27)29)23-14-20-6-2-3-7-21(20)15-23/h2-14,25,29H,15-17H2,1H3,(H,28,30)/t25-,27+/m1/s1.
What are the key properties of 4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide?
4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide has a molecular weight of 395.50 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-1-hydroxy-2-(1H-inden-2-yl)-1,3-dihydroinden-2-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 71240732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).