3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide

C20H25FN2O2 — CID 118777041

IUPAC3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)Cc2ccc(F)cc2)cc1OCCN
InChIInChI=1S/C20H25FN2O2/c1-14-4-7-16(12-18(14)25-11-10-22)19(24)23-20(2,3)13-15-5-8-17(21)9-6-15/h4-9,12H,10-11,13,22H2,1-3H3,(H,23,24)
InChIKeyJUGHHEWQOBNCKZ-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.22
Rot. Bonds7

About 3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide

3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide (PubChem CID 118777041) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide
PubChem CID118777041
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)Cc2ccc(F)cc2)cc1OCCN
InChIInChI=1S/C20H25FN2O2/c1-14-4-7-16(12-18(14)25-11-10-22)19(24)23-20(2,3)13-15-5-8-17(21)9-6-15/h4-9,12H,10-11,13,22H2,1-3H3,(H,23,24)
InChIKeyJUGHHEWQOBNCKZ-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide
CID 11291032
3,4,5-trimethoxy-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]benzamide
CID 110601722
3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide
CID 118774604
3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide
CID 118794228
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide
CID 23959991
N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide
CID 119524913
3-(2-aminoethoxy)-N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-4-methylbenzamide
CID 126437818
3-chloro-4-ethoxy-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100554586
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide
CID 74227684
4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62682424
3-[(4-fluoro-3-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 81283508
3-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64670730

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide (CID 118777041) is 3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C)(C)Cc2ccc(F)cc2)cc1OCCN.
What is the InChIKey of 3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide?
The InChIKey is JUGHHEWQOBNCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14-4-7-16(12-18(14)25-11-10-22)19(24)23-20(2,3)13-15-5-8-17(21)9-6-15/h4-9,12H,10-11,13,22H2,1-3H3,(H,23,24).
What are the key properties of 3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide?
3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide has a molecular weight of 344.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 118777041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).