2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C22H29FN2O — CID 9133481

IUPAC2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C
InChIInChI=1S/C22H29FN2O/c1-14(2)19-8-6-7-16(5)22(19)25-20(26)13-24-21(15(3)4)17-9-11-18(23)12-10-17/h6-12,14-15,21,24H,13H2,1-5H3,(H,25,26)/t21-/m0/s1
InChIKeyLJZGVHMCGLPBQH-NRFANRHFSA-N
MW356.49 g/mol
LogP5.18
Rot. Bonds7

About 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 9133481) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID9133481
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC Name2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C
InChIInChI=1S/C22H29FN2O/c1-14(2)19-8-6-7-16(5)22(19)25-20(26)13-24-21(15(3)4)17-9-11-18(23)12-10-17/h6-12,14-15,21,24H,13H2,1-5H3,(H,25,26)/t21-/m0/s1
InChIKeyLJZGVHMCGLPBQH-NRFANRHFSA-N
XLogP5.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131955
N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133410
N-(2,6-diethylphenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133408
2-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7919869
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 9133292
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992499
2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 8834390
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8918453
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9263718

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 9133481) is 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C.
What is the InChIKey of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is LJZGVHMCGLPBQH-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29FN2O/c1-14(2)19-8-6-7-16(5)22(19)25-20(26)13-24-21(15(3)4)17-9-11-18(23)12-10-17/h6-12,14-15,21,24H,13H2,1-5H3,(H,25,26)/t21-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 356.49 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 9133481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).