2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide

C14H20F2N2O — CID 31311994

IUPAC2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CNC(C)(C)C)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-9(11-6-5-10(15)7-12(11)16)18-13(19)8-17-14(2,3)4/h5-7,9,17H,8H2,1-4H3,(H,18,19)/t9-/m1/s1
InChIKeyXYTATABSKNQATN-SECBINFHSA-N
MW270.32 g/mol
LogP2.53
Rot. Bonds4

About 2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide

2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide (PubChem CID 31311994) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
PubChem CID31311994
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CNC(C)(C)C)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-9(11-6-5-10(15)7-12(11)16)18-13(19)8-17-14(2,3)4/h5-7,9,17H,8H2,1-4H3,(H,18,19)/t9-/m1/s1
InChIKeyXYTATABSKNQATN-SECBINFHSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 31675054
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8596226
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8794225
tert-butyl N-[3-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]carbamate
CID 9225218
2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 94081336
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide (CID 31311994) is 2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)CNC(C)(C)C)c1ccc(F)cc1F.
What is the InChIKey of 2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide?
The InChIKey is XYTATABSKNQATN-SECBINFHSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9(11-6-5-10(15)7-12(11)16)18-13(19)8-17-14(2,3)4/h5-7,9,17H,8H2,1-4H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide?
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide has a molecular weight of 270.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 31311994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).