N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide

C20H23NO2 — CID 90499012

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2(O)CCc3ccccc32)c(C)c1
InChIInChI=1S/C20H23NO2/c1-13-10-14(2)18(15(3)11-13)19(22)21-12-20(23)9-8-16-6-4-5-7-17(16)20/h4-7,10-11,23H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyOALHPDUUBOCETE-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.18
Rot. Bonds3

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide (PubChem CID 90499012) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
PubChem CID90499012
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2(O)CCc3ccccc32)c(C)c1
InChIInChI=1S/C20H23NO2/c1-13-10-14(2)18(15(3)11-13)19(22)21-12-20(23)9-8-16-6-4-5-7-17(16)20/h4-7,10-11,23H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyOALHPDUUBOCETE-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2,4,6-trimethylbenzamide
CID 90581082
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
CID 90535711
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 95983066
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea
CID 90499217
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 109481310
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylbenzamide
CID 111780826
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide (CID 90499012) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NCC2(O)CCc3ccccc32)c(C)c1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide?
The InChIKey is OALHPDUUBOCETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-13-10-14(2)18(15(3)11-13)19(22)21-12-20(23)9-8-16-6-4-5-7-17(16)20/h4-7,10-11,23H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 3.18, 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]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 90499012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).