2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide

C28H32N2O2 — CID 22082736

IUPAC2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide
SMILESCC(C)(Oc1cccc2c1CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C2)C(N)=O
InChIInChI=1S/C28H32N2O2/c1-28(2,27(29)31)32-26-15-9-14-23-18-24(16-17-25(23)26)30(19-21-10-5-3-6-11-21)20-22-12-7-4-8-13-22/h3-15,24H,16-20H2,1-2H3,(H2,29,31)/t24-/m1/s1
InChIKeyQDUGOGPSEYXPNO-XMMPIXPASA-N
MW428.58 g/mol
LogP4.89
Rot. Bonds8

About 2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide

2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide (PubChem CID 22082736) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide
PubChem CID22082736
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide
SMILESCC(C)(Oc1cccc2c1CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C2)C(N)=O
InChIInChI=1S/C28H32N2O2/c1-28(2,27(29)31)32-26-15-9-14-23-18-24(16-17-25(23)26)30(19-21-10-5-3-6-11-21)20-22-12-7-4-8-13-22/h3-15,24H,16-20H2,1-2H3,(H2,29,31)/t24-/m1/s1
InChIKeyQDUGOGPSEYXPNO-XMMPIXPASA-N
XLogP4.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide?
The IUPAC name of 2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide (CID 22082736) is 2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide.
What is the SMILES notation for 2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide?
The canonical SMILES for 2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide is CC(C)(Oc1cccc2c1CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C2)C(N)=O.
What is the InChIKey of 2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide?
The InChIKey is QDUGOGPSEYXPNO-XMMPIXPASA-N. The full InChI is InChI=1S/C28H32N2O2/c1-28(2,27(29)31)32-26-15-9-14-23-18-24(16-17-25(23)26)30(19-21-10-5-3-6-11-21)20-22-12-7-4-8-13-22/h3-15,24H,16-20H2,1-2H3,(H2,29,31)/t24-/m1/s1.
What are the key properties of 2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide?
2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide has a molecular weight of 428.58 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6R)-6-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-2-methylpropanamide is sourced from PubChem (CID 22082736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).