N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide

C28H32N2O2 — CID 22082777

IUPACN-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cccc2c1C[C@@H](N(Cc1ccccc1)Cc1ccccc1)CC2
InChIInChI=1S/C28H32N2O2/c1-28(2,32)27(31)29-26-15-9-14-23-16-17-24(18-25(23)26)30(19-21-10-5-3-6-11-21)20-22-12-7-4-8-13-22/h3-15,24,32H,16-20H2,1-2H3,(H,29,31)/t24-/m0/s1
InChIKeyZFQGIYJASGAUFB-DEOSSOPVSA-N
MW428.58 g/mol
LogP4.96
Rot. Bonds7

About N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide

N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide (PubChem CID 22082777) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide
PubChem CID22082777
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC NameN-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cccc2c1C[C@@H](N(Cc1ccccc1)Cc1ccccc1)CC2
InChIInChI=1S/C28H32N2O2/c1-28(2,32)27(31)29-26-15-9-14-23-16-17-24(18-25(23)26)30(19-21-10-5-3-6-11-21)20-22-12-7-4-8-13-22/h3-15,24,32H,16-20H2,1-2H3,(H,29,31)/t24-/m0/s1
InChIKeyZFQGIYJASGAUFB-DEOSSOPVSA-N
XLogP4.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide (CID 22082777) is N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)Nc1cccc2c1C[C@@H](N(Cc1ccccc1)Cc1ccccc1)CC2.
What is the InChIKey of N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide?
The InChIKey is ZFQGIYJASGAUFB-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-28(2,32)27(31)29-26-15-9-14-23-16-17-24(18-25(23)26)30(19-21-10-5-3-6-11-21)20-22-12-7-4-8-13-22/h3-15,24,32H,16-20H2,1-2H3,(H,29,31)/t24-/m0/s1.
What are the key properties of N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide?
N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide has a molecular weight of 428.58 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22082777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).