2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide

C18H27F2N3O2 — CID 8794225

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESCCN(CC(=O)N[C@@H](C)c1ccc(F)cc1F)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H27F2N3O2/c1-6-23(11-17(25)22-18(3,4)5)10-16(24)21-12(2)14-8-7-13(19)9-15(14)20/h7-9,12H,6,10-11H2,1-5H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyLHANWIKRUUQWBE-LBPRGKRZSA-N
MW355.43 g/mol
LogP2.38
Rot. Bonds7

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

2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide (PubChem CID 8794225) has the molecular formula C18H27F2N3O2 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
PubChem CID8794225
Molecular FormulaC18H27F2N3O2
Molecular Weight355.43 g/mol
Exact Mass355.21
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESCCN(CC(=O)N[C@@H](C)c1ccc(F)cc1F)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H27F2N3O2/c1-6-23(11-17(25)22-18(3,4)5)10-16(24)21-12(2)14-8-7-13(19)9-15(14)20/h7-9,12H,6,10-11H2,1-5H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyLHANWIKRUUQWBE-LBPRGKRZSA-N
XLogP2.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide with MolForge

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Related Compounds

2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8795783
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 8818396
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-(2,3,4-trifluoroanilino)acetamide
CID 31675054
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8794351
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 8594865
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 79810222
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide (CID 8794225) is 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide is CCN(CC(=O)N[C@@H](C)c1ccc(F)cc1F)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The InChIKey is LHANWIKRUUQWBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H27F2N3O2/c1-6-23(11-17(25)22-18(3,4)5)10-16(24)21-12(2)14-8-7-13(19)9-15(14)20/h7-9,12H,6,10-11H2,1-5H3,(H,21,24)(H,22,25)/t12-/m0/s1.
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide has a molecular weight of 355.43 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 8794225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).