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

C20H26Cl2N2O2 — CID 45481613

IUPAC(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride
SMILESCO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1.Cl
InChIInChI=1S/C20H25ClN2O2.ClH/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);1H/t18-,19+;/m0./s1
InChIKeyNGGZHQJIHQNUBN-GRTNUQQKSA-N
MW397.35 g/mol
LogP4.26
Rot. Bonds8

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

(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride (PubChem CID 45481613) has the molecular formula C20H26Cl2N2O2 and a molecular weight of 397.35 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride
PubChem CID45481613
Molecular FormulaC20H26Cl2N2O2
Molecular Weight397.35 g/mol
Exact Mass396.14
IUPAC Name(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride
SMILESCO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1.Cl
InChIInChI=1S/C20H25ClN2O2.ClH/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);1H/t18-,19+;/m0./s1
InChIKeyNGGZHQJIHQNUBN-GRTNUQQKSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Robotnikinin
CID 25109985
(2s,5r,6s)-2-Benzyl-5,6-Bis(4-Chlorophenyl)-4-Methylmorpholin-3-One
CID 71305071
(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide
CID 24955187
N-(4-chlorobenzyl)-2-((2S,6S,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)acetamide
CID 46879994
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]benzamide;hydrochloride
CID 66976494
[2-(Cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate
CID 3230525
N-[(4-chlorophenyl)methyl]-2-[(2R,6S)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide
CID 67310049
[1-(2-Chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate
CID 3230484
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)acetate
CID 4279960
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 3142634
(2R)-N-[(1R)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide
CID 44409548
N-(4-chlorobenzyl)-2-((2R,6R,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)acetamide
CID 44479805

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride?
The IUPAC name of (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride (CID 45481613) is (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride?
The canonical SMILES for (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride is CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1)c1ccccc1.Cl.
What is the InChIKey of (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride?
The InChIKey is NGGZHQJIHQNUBN-GRTNUQQKSA-N. The full InChI is InChI=1S/C20H25ClN2O2.ClH/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);1H/t18-,19+;/m0./s1.
What are the key properties of (2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride?
(2R)-N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxy-2-phenylacetamide;hydrochloride has a molecular weight of 397.35 g/mol, XLogP of 4.26, 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;hydrochloride is sourced from PubChem (CID 45481613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).