N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide

C20H26N2O2 — CID 7987402

IUPACN-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(C)c(C)c2)N(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-14-6-7-17(12-15(14)2)20(23)21-13-19(22(3)4)16-8-10-18(24-5)11-9-16/h6-12,19H,13H2,1-5H3,(H,21,23)/t19-/m0/s1
InChIKeyCVRKABGEGHLXPS-IBGZPJMESA-N
MW326.44 g/mol
LogP3.34
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide

N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide (PubChem CID 7987402) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
PubChem CID7987402
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(C)c(C)c2)N(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-14-6-7-17(12-15(14)2)20(23)21-13-19(22(3)4)16-8-10-18(24-5)11-9-16/h6-12,19H,13H2,1-5H3,(H,21,23)/t19-/m0/s1
InChIKeyCVRKABGEGHLXPS-IBGZPJMESA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 43003305
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 30474759
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 25391058
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-phenylethynyl)benzamide
CID 43044722
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 78768992
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 24673398
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide
CID 112506532
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide (CID 7987402) is N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide is COc1ccc([C@H](CNC(=O)c2ccc(C)c(C)c2)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide?
The InChIKey is CVRKABGEGHLXPS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-6-7-17(12-15(14)2)20(23)21-13-19(22(3)4)16-8-10-18(24-5)11-9-16/h6-12,19H,13H2,1-5H3,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide?
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide has a molecular weight of 326.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 7987402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).