N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide

C16H24FN3O2 — CID 51200030

IUPACN-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)NC(=O)NC(C)(C)C)Cc1cccc(F)c1
InChIInChI=1S/C16H24FN3O2/c1-5-20(10-12-7-6-8-13(17)9-12)11-14(21)18-15(22)19-16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H2,18,19,21,22)
InChIKeyAWEYIJCHRSLQTJ-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.27
Rot. Bonds5

About N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide

N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide (PubChem CID 51200030) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
PubChem CID51200030
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC NameN-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)NC(=O)NC(C)(C)C)Cc1cccc(F)c1
InChIInChI=1S/C16H24FN3O2/c1-5-20(10-12-7-6-8-13(17)9-12)11-14(21)18-15(22)19-16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H2,18,19,21,22)
InChIKeyAWEYIJCHRSLQTJ-UHFFFAOYSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
CID 55319008
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide
CID 17443267
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 18088803
N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 4818784
N-tert-butyl-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767568
2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 61486374
N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide
CID 26649782
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030856
N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 18196458
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41375343
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 18103307

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide (CID 51200030) is N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide is CCN(CC(=O)NC(=O)NC(C)(C)C)Cc1cccc(F)c1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
The InChIKey is AWEYIJCHRSLQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-5-20(10-12-7-6-8-13(17)9-12)11-14(21)18-15(22)19-16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H2,18,19,21,22).
What are the key properties of N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide has a molecular weight of 309.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 51200030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).