(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide

C20H25ClN2O2 — CID 24955187

IUPAC(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H25ClN2O2/c1-23(2)14-13-18(15-9-11-17(21)12-10-15)22-20(24)19(25-3)16-7-5-4-6-8-16/h4-12,18-19H,13-14H2,1-3H3,(H,22,24)/t18-,19+/m0/s1
InChIKeyWTIOICFLVWQZCC-RBUKOAKNSA-N
MW360.89 g/mol
LogP3.84
Rot. Bonds8

About (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide

(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide (PubChem CID 24955187) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide
PubChem CID24955187
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H25ClN2O2/c1-23(2)14-13-18(15-9-11-17(21)12-10-15)22-20(24)19(25-3)16-7-5-4-6-8-16/h4-12,18-19H,13-14H2,1-3H3,(H,22,24)/t18-,19+/m0/s1
InChIKeyWTIOICFLVWQZCC-RBUKOAKNSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide (CID 24955187) is (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide is CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide?
The InChIKey is WTIOICFLVWQZCC-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-23(2)14-13-18(15-9-11-17(21)12-10-15)22-20(24)19(25-3)16-7-5-4-6-8-16/h4-12,18-19H,13-14H2,1-3H3,(H,22,24)/t18-,19+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide?
(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide has a molecular weight of 360.89 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 24955187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).