(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide

C19H21NO2 — CID 18646616

IUPAC(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide
SMILESC[C@@H](C(=O)N[C@H]1Cc2ccccc2C[C@@H]1O)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-13(14-7-3-2-4-8-14)19(22)20-17-11-15-9-5-6-10-16(15)12-18(17)21/h2-10,13,17-18,21H,11-12H2,1H3,(H,20,22)/t13-,17+,18+/m1/s1
InChIKeyCJNFGCOIEFNANT-BVGQSLNGSA-N
MW295.38 g/mol
LogP2.43
Rot. Bonds3

About (2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide

(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide (PubChem CID 18646616) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide
PubChem CID18646616
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide
SMILESC[C@@H](C(=O)N[C@H]1Cc2ccccc2C[C@@H]1O)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-13(14-7-3-2-4-8-14)19(22)20-17-11-15-9-5-6-10-16(15)12-18(17)21/h2-10,13,17-18,21H,11-12H2,1H3,(H,20,22)/t13-,17+,18+/m1/s1
InChIKeyCJNFGCOIEFNANT-BVGQSLNGSA-N
XLogP2.43
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 ≤ 52.43
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
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
N-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 12878375
2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide
CID 57122586
(2S)-N-[(1S,2S)-1-(2,2-difluoroethylamino)-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide
CID 137441352
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide
CID 111696460
2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide
CID 137441290
(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 134521718
cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120690493
2-phenyl-N-(3-phenylpiperidin-4-yl)propanamide
CID 11500528
N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide
CID 70499721
methyl 4-(2-phenylpropanoylamino)cyclohexane-1-carboxylate
CID 104917471

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide?
The IUPAC name of (2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide (CID 18646616) is (2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide?
The canonical SMILES for (2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide is C[C@@H](C(=O)N[C@H]1Cc2ccccc2C[C@@H]1O)c1ccccc1.
What is the InChIKey of (2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide?
The InChIKey is CJNFGCOIEFNANT-BVGQSLNGSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(14-7-3-2-4-8-14)19(22)20-17-11-15-9-5-6-10-16(15)12-18(17)21/h2-10,13,17-18,21H,11-12H2,1H3,(H,20,22)/t13-,17+,18+/m1/s1.
What are the key properties of (2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide?
(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide has a molecular weight of 295.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide is sourced from PubChem (CID 18646616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).