N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide

C17H27FN2O — CID 97321937

IUPACN,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide
SMILESCCN(CC)C(=O)CN[C@@H](Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H27FN2O/c1-5-20(6-2)17(21)12-19-16(13(3)4)11-14-7-9-15(18)10-8-14/h7-10,13,16,19H,5-6,11-12H2,1-4H3/t16-/m0/s1
InChIKeyOXFFSZNIIIZQFK-INIZCTEOSA-N
MW294.41 g/mol
LogP2.85
Rot. Bonds8

About N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide

N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide (PubChem CID 97321937) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide
PubChem CID97321937
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide
SMILESCCN(CC)C(=O)CN[C@@H](Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H27FN2O/c1-5-20(6-2)17(21)12-19-16(13(3)4)11-14-7-9-15(18)10-8-14/h7-10,13,16,19H,5-6,11-12H2,1-4H3/t16-/m0/s1
InChIKeyOXFFSZNIIIZQFK-INIZCTEOSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[(4-fluorophenyl)methylamino]acetamide
CID 28581599
2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide
CID 103522190
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858
N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 62996918
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 95969358
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 54872580
N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 91015016
N-ethyl-N-(4-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 60683040
N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)-3-methylbutan-2-amine
CID 155119476
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78789833
N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide
CID 71993281

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide?
The IUPAC name of N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide (CID 97321937) is N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide is CCN(CC)C(=O)CN[C@@H](Cc1ccc(F)cc1)C(C)C.
What is the InChIKey of N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide?
The InChIKey is OXFFSZNIIIZQFK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-5-20(6-2)17(21)12-19-16(13(3)4)11-14-7-9-15(18)10-8-14/h7-10,13,16,19H,5-6,11-12H2,1-4H3/t16-/m0/s1.
What are the key properties of N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide?
N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide has a molecular weight of 294.41 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide is sourced from PubChem (CID 97321937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).