N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide

C21H28N2O2 — CID 95303333

IUPACN-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C)[C@@H](C)c1cccc(O)c1
InChIInChI=1S/C21H28N2O2/c1-5-16-9-7-10-17(6-2)21(16)22-20(25)14-23(4)15(3)18-11-8-12-19(24)13-18/h7-13,15,24H,5-6,14H2,1-4H3,(H,22,25)/t15-/m0/s1
InChIKeyGSZLRYFGPPARPH-HNNXBMFYSA-N
MW340.47 g/mol
LogP4.15
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide

N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide (PubChem CID 95303333) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide
PubChem CID95303333
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C)[C@@H](C)c1cccc(O)c1
InChIInChI=1S/C21H28N2O2/c1-5-16-9-7-10-17(6-2)21(16)22-20(25)14-23(4)15(3)18-11-8-12-19(24)13-18/h7-13,15,24H,5-6,14H2,1-4H3,(H,22,25)/t15-/m0/s1
InChIKeyGSZLRYFGPPARPH-HNNXBMFYSA-N
XLogP4.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 46551786
N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664
3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 106918846
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
2-[acetyl(2-methylpropyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 13294808
2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide
CID 82985774
3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911645
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159
3-(2,6-diethylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99697996
N-(2,6-diethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964124

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide (CID 95303333) is N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide is CCc1cccc(CC)c1NC(=O)CN(C)[C@@H](C)c1cccc(O)c1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide?
The InChIKey is GSZLRYFGPPARPH-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-16-9-7-10-17(6-2)21(16)22-20(25)14-23(4)15(3)18-11-8-12-19(24)13-18/h7-13,15,24H,5-6,14H2,1-4H3,(H,22,25)/t15-/m0/s1.
What are the key properties of N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide?
N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide is sourced from PubChem (CID 95303333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).