N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide

C30H34N2O2 — CID 10368334

IUPACN-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide
SMILESCN(C(=O)CC(c1ccccc1)c1ccccc1)[C@H]1c2cc(O)ccc2CC[C@@H]1N1CCCC1
InChIInChI=1S/C30H34N2O2/c1-31(29(34)21-26(22-10-4-2-5-11-22)23-12-6-3-7-13-23)30-27-20-25(33)16-14-24(27)15-17-28(30)32-18-8-9-19-32/h2-7,10-14,16,20,26,28,30,33H,8-9,15,17-19,21H2,1H3/t28-,30-/m0/s1
InChIKeyCQHOKMJAIZEXOW-JDXGNMNLSA-N
MW454.61 g/mol
LogP5.52
Rot. Bonds6

About N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide

N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide (PubChem CID 10368334) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide
PubChem CID10368334
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC NameN-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide
SMILESCN(C(=O)CC(c1ccccc1)c1ccccc1)[C@H]1c2cc(O)ccc2CC[C@@H]1N1CCCC1
InChIInChI=1S/C30H34N2O2/c1-31(29(34)21-26(22-10-4-2-5-11-22)23-12-6-3-7-13-23)30-27-20-25(33)16-14-24(27)15-17-28(30)32-18-8-9-19-32/h2-7,10-14,16,20,26,28,30,33H,8-9,15,17-19,21H2,1H3/t28-,30-/m0/s1
InChIKeyCQHOKMJAIZEXOW-JDXGNMNLSA-N
XLogP5.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide?
The IUPAC name of N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide (CID 10368334) is N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide?
The canonical SMILES for N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide is CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@H]1c2cc(O)ccc2CC[C@@H]1N1CCCC1.
What is the InChIKey of N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide?
The InChIKey is CQHOKMJAIZEXOW-JDXGNMNLSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-31(29(34)21-26(22-10-4-2-5-11-22)23-12-6-3-7-13-23)30-27-20-25(33)16-14-24(27)15-17-28(30)32-18-8-9-19-32/h2-7,10-14,16,20,26,28,30,33H,8-9,15,17-19,21H2,1H3/t28-,30-/m0/s1.
What are the key properties of N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide?
N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide has a molecular weight of 454.61 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-7-hydroxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-3,3-diphenylpropanamide is sourced from PubChem (CID 10368334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).