N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide

C19H21NO2 — CID 111696460

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide
SMILESCc1cccc(C(C)C(=O)NC2c3ccccc3CC2O)c1
InChIInChI=1S/C19H21NO2/c1-12-6-5-8-14(10-12)13(2)19(22)20-18-16-9-4-3-7-15(16)11-17(18)21/h3-10,13,17-18,21H,11H2,1-2H3,(H,20,22)
InChIKeyCUJVZLKUVZOTMT-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.87
Rot. Bonds3

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide (PubChem CID 111696460) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide
PubChem CID111696460
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide
SMILESCc1cccc(C(C)C(=O)NC2c3ccccc3CC2O)c1
InChIInChI=1S/C19H21NO2/c1-12-6-5-8-14(10-12)13(2)19(22)20-18-16-9-4-3-7-15(16)11-17(18)21/h3-10,13,17-18,21H,11H2,1-2H3,(H,20,22)
InChIKeyCUJVZLKUVZOTMT-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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Related Compounds

N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
(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]-2-(3-methylphenyl)acetamide
CID 103816958
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51094079
2-acetamido-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103819065
2-acetamido-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103625684
(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107222220
2-ethoxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 136518623
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]benzamide
CID 110903499
[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 69464316

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide (CID 111696460) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide is Cc1cccc(C(C)C(=O)NC2c3ccccc3CC2O)c1.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide?
The InChIKey is CUJVZLKUVZOTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-12-6-5-8-14(10-12)13(2)19(22)20-18-16-9-4-3-7-15(16)11-17(18)21/h3-10,13,17-18,21H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide 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-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide is sourced from PubChem (CID 111696460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).