(2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride

C24H29ClN2O2 — CID 45481580

IUPAC(2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride
SMILESCO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1.Cl
InChIInChI=1S/C24H28N2O2.ClH/c1-26(2)16-15-22(21-14-13-18-9-7-8-12-20(18)17-21)25-24(27)23(28-3)19-10-5-4-6-11-19;/h4-14,17,22-23H,15-16H2,1-3H3,(H,25,27);1H/t22-,23+;/m0./s1
InChIKeyGADDLFVSLQEOBU-PEADMDKFSA-N
MW412.96 g/mol
LogP4.76
Rot. Bonds8

About (2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride

(2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride (PubChem CID 45481580) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is (2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride
PubChem CID45481580
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name(2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride
SMILESCO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1.Cl
InChIInChI=1S/C24H28N2O2.ClH/c1-26(2)16-15-22(21-14-13-18-9-7-8-12-20(18)17-21)25-24(27)23(28-3)19-10-5-4-6-11-19;/h4-14,17,22-23H,15-16H2,1-3H3,(H,25,27);1H/t22-,23+;/m0./s1
InChIKeyGADDLFVSLQEOBU-PEADMDKFSA-N
XLogP4.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride?
The IUPAC name of (2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride (CID 45481580) is (2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride.
What is the SMILES notation for (2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride?
The canonical SMILES for (2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride is CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1.Cl.
What is the InChIKey of (2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride?
The InChIKey is GADDLFVSLQEOBU-PEADMDKFSA-N. The full InChI is InChI=1S/C24H28N2O2.ClH/c1-26(2)16-15-22(21-14-13-18-9-7-8-12-20(18)17-21)25-24(27)23(28-3)19-10-5-4-6-11-19;/h4-14,17,22-23H,15-16H2,1-3H3,(H,25,27);1H/t22-,23+;/m0./s1.
What are the key properties of (2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride?
(2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride has a molecular weight of 412.96 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-methoxy-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 45481580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).