3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide

C20H23NO2 — CID 110025348

IUPAC3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide
SMILESCC1Cc2ccccc2C1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-14-12-15-8-6-7-11-17(15)19(14)21-18(22)13-20(2,23)16-9-4-3-5-10-16/h3-11,14,19,23H,12-13H2,1-2H3,(H,21,22)
InChIKeyHGYPKNBENQEIER-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.33
Rot. Bonds4

About 3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide

3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide (PubChem CID 110025348) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide
PubChem CID110025348
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide
SMILESCC1Cc2ccccc2C1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-14-12-15-8-6-7-11-17(15)19(14)21-18(22)13-20(2,23)16-9-4-3-5-10-16/h3-11,14,19,23H,12-13H2,1-2H3,(H,21,22)
InChIKeyHGYPKNBENQEIER-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111121271
3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 103816914
1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111116927
N,2,2-trimethyl-3-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]propanamide
CID 99777424
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 25051108
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111506246
2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398
(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 101384659
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide (CID 110025348) is 3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide is CC1Cc2ccccc2C1NC(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide?
The InChIKey is HGYPKNBENQEIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-12-15-8-6-7-11-17(15)19(14)21-18(22)13-20(2,23)16-9-4-3-5-10-16/h3-11,14,19,23H,12-13H2,1-2H3,(H,21,22).
What are the key properties of 3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide?
3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide has a molecular weight of 309.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3-phenylbutanamide is sourced from PubChem (CID 110025348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).