N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide

C20H25FN2O2 — CID 30525493

IUPACN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1C
InChIInChI=1S/C20H25FN2O2/c1-14-8-9-18(10-15(14)2)25-13-20(24)22-12-19(23(3)4)16-6-5-7-17(21)11-16/h5-11,19H,12-13H2,1-4H3,(H,22,24)/t19-/m0/s1
InChIKeyAZZQVVWQPNKCQX-IBGZPJMESA-N
MW344.43 g/mol
LogP3.24
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 30525493) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID30525493
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1C
InChIInChI=1S/C20H25FN2O2/c1-14-8-9-18(10-15(14)2)25-13-20(24)22-12-19(23(3)4)16-6-5-7-17(21)11-16/h5-11,19H,12-13H2,1-4H3,(H,22,24)/t19-/m0/s1
InChIKeyAZZQVVWQPNKCQX-IBGZPJMESA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 43017004
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide
CID 39835153
2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 39959751
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 112506773
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 34967892
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide
CID 47082053
2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796210
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 34948899
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 39835204
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057323
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 51251237

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide (CID 30525493) is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is AZZQVVWQPNKCQX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14-8-9-18(10-15(14)2)25-13-20(24)22-12-19(23(3)4)16-6-5-7-17(21)11-16/h5-11,19H,12-13H2,1-4H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide?
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 344.43 g/mol, XLogP of 3.24, 7 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-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 30525493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).