2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride

C26H35ClN2O2 — CID 45262675

IUPAC2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride
SMILESCOc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(C)c(C)c1.Cl
InChIInChI=1S/C26H34N2O2.ClH/c1-18-10-11-20(16-19(18)2)17-25(29)27(3)26-22-8-7-9-24(30-4)21(22)12-13-23(26)28-14-5-6-15-28;/h7-11,16,23,26H,5-6,12-15,17H2,1-4H3;1H/t23-,26-;/m0./s1
InChIKeyIMAGPFTVXCTGIW-MHUAFMOUSA-N
MW443.03 g/mol
LogP4.89
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride

2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride (PubChem CID 45262675) has the molecular formula C26H35ClN2O2 and a molecular weight of 443.03 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride
PubChem CID45262675
Molecular FormulaC26H35ClN2O2
Molecular Weight443.03 g/mol
Exact Mass442.24
IUPAC Name2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride
SMILESCOc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(C)c(C)c1.Cl
InChIInChI=1S/C26H34N2O2.ClH/c1-18-10-11-20(16-19(18)2)17-25(29)27(3)26-22-8-7-9-24(30-4)21(22)12-13-23(26)28-14-5-6-15-28;/h7-11,16,23,26H,5-6,12-15,17H2,1-4H3;1H/t23-,26-;/m0./s1
InChIKeyIMAGPFTVXCTGIW-MHUAFMOUSA-N
XLogP4.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.03
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride (CID 45262675) is 2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride is COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(C)c(C)c1.Cl.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride?
The InChIKey is IMAGPFTVXCTGIW-MHUAFMOUSA-N. The full InChI is InChI=1S/C26H34N2O2.ClH/c1-18-10-11-20(16-19(18)2)17-25(29)27(3)26-22-8-7-9-24(30-4)21(22)12-13-23(26)28-14-5-6-15-28;/h7-11,16,23,26H,5-6,12-15,17H2,1-4H3;1H/t23-,26-;/m0./s1.
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride?
2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride has a molecular weight of 443.03 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[(1S,2S)-5-methoxy-2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 45262675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).