3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide

C19H22N2O2 — CID 130292861

IUPAC3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide
SMILESCNC1c2ccccc2C[C@@H]1NC(=O)C(CO)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-20-18-15-10-6-5-9-14(15)11-17(18)21-19(23)16(12-22)13-7-3-2-4-8-13/h2-10,16-18,20,22H,11-12H2,1H3,(H,21,23)/t16?,17-,18?/m0/s1
InChIKeyQKUGCDCUWWRMDB-ADKAHSJRSA-N
MW310.40 g/mol
LogP1.76
Rot. Bonds5

About 3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide

3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide (PubChem CID 130292861) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide
PubChem CID130292861
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide
SMILESCNC1c2ccccc2C[C@@H]1NC(=O)C(CO)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-20-18-15-10-6-5-9-14(15)11-17(18)21-19(23)16(12-22)13-7-3-2-4-8-13/h2-10,16-18,20,22H,11-12H2,1H3,(H,21,23)/t16?,17-,18?/m0/s1
InChIKeyQKUGCDCUWWRMDB-ADKAHSJRSA-N
XLogP1.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-2-[2-(4-fluorophenyl)butanoylamino]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 137441238
[(1S,2S)-2-[[(2S)-2-(4-fluorophenyl)butanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 130277303
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 160671581
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)butanamide
CID 130277790
tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate;3-hydroxy-2-phenylpropanoic acid
CID 160671580
(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide
CID 18646616
(2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide
CID 97237159
(2S)-N-[(1S,2S)-1-(2,2-difluoroethylamino)-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide
CID 137441352
2-ethoxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 136518623

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide?
The IUPAC name of 3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide (CID 130292861) is 3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide.
What is the SMILES notation for 3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide?
The canonical SMILES for 3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide is CNC1c2ccccc2C[C@@H]1NC(=O)C(CO)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide?
The InChIKey is QKUGCDCUWWRMDB-ADKAHSJRSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20-18-15-10-6-5-9-14(15)11-17(18)21-19(23)16(12-22)13-7-3-2-4-8-13/h2-10,16-18,20,22H,11-12H2,1H3,(H,21,23)/t16?,17-,18?/m0/s1.
What are the key properties of 3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide?
3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide has a molecular weight of 310.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide is sourced from PubChem (CID 130292861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).