2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

C20H25FN2O2 — CID 41378355

IUPAC2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NCc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C20H25FN2O2/c1-4-25-18-9-7-16(8-10-18)13-23(3)14-20(24)22-12-17-6-5-15(2)19(21)11-17/h5-11H,4,12-14H2,1-3H3,(H,22,24)
InChIKeyJNRBROUDUISFNB-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.28
Rot. Bonds8

About 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (PubChem CID 41378355) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
PubChem CID41378355
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NCc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C20H25FN2O2/c1-4-25-18-9-7-16(8-10-18)13-23(3)14-20(24)22-12-17-6-5-15(2)19(21)11-17/h5-11H,4,12-14H2,1-3H3,(H,22,24)
InChIKeyJNRBROUDUISFNB-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488603
N-[(3-fluoro-4-methylphenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855911
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37215840
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398197
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 27204242
N-(2,5-dichlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024067
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 41161682
2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87013294
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (CID 41378355) is 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is CCOc1ccc(CN(C)CC(=O)NCc2ccc(C)c(F)c2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The InChIKey is JNRBROUDUISFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-4-25-18-9-7-16(8-10-18)13-23(3)14-20(24)22-12-17-6-5-15(2)19(21)11-17/h5-11H,4,12-14H2,1-3H3,(H,22,24).
What are the key properties of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide has a molecular weight of 344.43 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 41378355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).