2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide

C14H21FN2O — CID 112727460

IUPAC2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide
SMILESCCN(C(=O)CNC(C)(C)C)c1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-5-17(12-9-7-6-8-11(12)15)13(18)10-16-14(2,3)4/h6-9,16H,5,10H2,1-4H3
InChIKeyCRKKUCMWHYTCHG-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.57
Rot. Bonds4

About 2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide

2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide (PubChem CID 112727460) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide
PubChem CID112727460
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide
SMILESCCN(C(=O)CNC(C)(C)C)c1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-5-17(12-9-7-6-8-11(12)15)13(18)10-16-14(2,3)4/h6-9,16H,5,10H2,1-4H3
InChIKeyCRKKUCMWHYTCHG-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(N-ethyl-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934429
ethyl-(2-fluorophenyl)carbamic acid
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N-ethyl-N-(2-fluorophenyl)-4-hydroxypentanamide
CID 79192047
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
CID 81312468
2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
CID 79810988
4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide
CID 81087068
N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide
CID 2110538
2-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263468
2-[[[ethyl-(2-fluorophenyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65222142
3-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-ethyl-1-(2-fluorophenyl)urea
CID 100657823
1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine
CID 55074031
N-ethyl-N-(2-fluorophenyl)-2-piperidin-3-ylacetamide
CID 55105522

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide (CID 112727460) is 2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide is CCN(C(=O)CNC(C)(C)C)c1ccccc1F.
What is the InChIKey of 2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide?
The InChIKey is CRKKUCMWHYTCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-5-17(12-9-7-6-8-11(12)15)13(18)10-16-14(2,3)4/h6-9,16H,5,10H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide?
2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide has a molecular weight of 252.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 112727460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).