N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide

C20H22N2O3 — CID 136512281

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NC2c3ccccc3CC2O)cc1
InChIInChI=1S/C20H22N2O3/c1-12(2)19(24)21-15-9-7-13(8-10-15)20(25)22-18-16-6-4-3-5-14(16)11-17(18)23/h3-10,12,17-18,23H,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyZAFFGCJQWWXHMI-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.67
Rot. Bonds4

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide (PubChem CID 136512281) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide
PubChem CID136512281
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NC2c3ccccc3CC2O)cc1
InChIInChI=1S/C20H22N2O3/c1-12(2)19(24)21-15-9-7-13(8-10-15)20(25)22-18-16-6-4-3-5-14(16)11-17(18)23/h3-10,12,17-18,23H,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyZAFFGCJQWWXHMI-UHFFFAOYSA-N
XLogP2.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]benzamide
CID 110903499
4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
CID 103816885
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 164603208
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide (CID 136512281) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(C(=O)NC2c3ccccc3CC2O)cc1.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide?
The InChIKey is ZAFFGCJQWWXHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12(2)19(24)21-15-9-7-13(8-10-15)20(25)22-18-16-6-4-3-5-14(16)11-17(18)23/h3-10,12,17-18,23H,11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 136512281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).