N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide

C19H21NO2 — CID 90498997

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC2(O)CCc3ccccc32)c1
InChIInChI=1S/C19H21NO2/c1-13-9-14(2)11-16(10-13)18(21)20-12-19(22)8-7-15-5-3-4-6-17(15)19/h3-6,9-11,22H,7-8,12H2,1-2H3,(H,20,21)
InChIKeyGQFBWCMAPLDRNX-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.87
Rot. Bonds3

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide (PubChem CID 90498997) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
PubChem CID90498997
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC2(O)CCc3ccccc32)c1
InChIInChI=1S/C19H21NO2/c1-13-9-14(2)11-16(10-13)18(21)20-12-19(22)8-7-15-5-3-4-6-17(15)19/h3-6,9-11,22H,7-8,12H2,1-2H3,(H,20,21)
InChIKeyGQFBWCMAPLDRNX-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide (CID 90498997) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC2(O)CCc3ccccc32)c1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide?
The InChIKey is GQFBWCMAPLDRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13-9-14(2)11-16(10-13)18(21)20-12-19(22)8-7-15-5-3-4-6-17(15)19/h3-6,9-11,22H,7-8,12H2,1-2H3,(H,20,21).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide has a molecular weight of 295.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 90498997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).