N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide

C22H29FN2O — CID 9133410

IUPACN-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C
InChIInChI=1S/C22H29FN2O/c1-5-16-8-7-9-17(6-2)22(16)25-20(26)14-24-21(15(3)4)18-10-12-19(23)13-11-18/h7-13,15,21,24H,5-6,14H2,1-4H3,(H,25,26)/t21-/m0/s1
InChIKeyVXBBMABNWYWAII-NRFANRHFSA-N
MW356.49 g/mol
LogP4.88
Rot. Bonds8

About N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide

N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (PubChem CID 9133410) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
PubChem CID9133410
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC NameN-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C
InChIInChI=1S/C22H29FN2O/c1-5-16-8-7-9-17(6-2)22(16)25-20(26)14-24-21(15(3)4)18-10-12-19(23)13-11-18/h7-13,15,21,24H,5-6,14H2,1-4H3,(H,25,26)/t21-/m0/s1
InChIKeyVXBBMABNWYWAII-NRFANRHFSA-N
XLogP4.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133408
N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131674
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9133481
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 9133292
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9133439
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992499
N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134154
N-(2,4-difluorophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991959
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 94471434
N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133316

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (CID 9133410) is N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is CCc1cccc(CC)c1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is VXBBMABNWYWAII-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29FN2O/c1-5-16-8-7-9-17(6-2)22(16)25-20(26)14-24-21(15(3)4)18-10-12-19(23)13-11-18/h7-13,15,21,24H,5-6,14H2,1-4H3,(H,25,26)/t21-/m0/s1.
What are the key properties of N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 356.49 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 9133410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).