(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide

C26H33FN2O2 — CID 100558547

IUPAC(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
SMILESCc1ccc(C)c(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C26H33FN2O2/c1-18-13-14-19(2)22(15-18)16-25(30)29(17-21-9-7-8-12-24(21)27)20(3)26(31)28-23-10-5-4-6-11-23/h7-9,12-15,20,23H,4-6,10-11,16-17H2,1-3H3,(H,28,31)/t20-/m1/s1
InChIKeyKXNAQEYAPUQCSS-HXUWFJFHSA-N
MW424.56 g/mol
LogP4.85
Rot. Bonds7

About (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide

(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide (PubChem CID 100558547) has the molecular formula C26H33FN2O2 and a molecular weight of 424.56 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
PubChem CID100558547
Molecular FormulaC26H33FN2O2
Molecular Weight424.56 g/mol
Exact Mass424.25
IUPAC Name(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
SMILESCc1ccc(C)c(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C26H33FN2O2/c1-18-13-14-19(2)22(15-18)16-25(30)29(17-21-9-7-8-12-24(21)27)20(3)26(31)28-23-10-5-4-6-11-23/h7-9,12-15,20,23H,4-6,10-11,16-17H2,1-3H3,(H,28,31)/t20-/m1/s1
InChIKeyKXNAQEYAPUQCSS-HXUWFJFHSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100558539
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559703
N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133261635
N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 133146856
N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132985311
(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100554204
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 133174936
(2R)-2-[(3-bromophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 100564371
N-cyclohexyl-2-[[2-(4-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132763914
N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
CID 133198788
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100557416
N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132611302

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide (CID 100558547) is (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide is Cc1ccc(C)c(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)c1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide?
The InChIKey is KXNAQEYAPUQCSS-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H33FN2O2/c1-18-13-14-19(2)22(15-18)16-25(30)29(17-21-9-7-8-12-24(21)27)20(3)26(31)28-23-10-5-4-6-11-23/h7-9,12-15,20,23H,4-6,10-11,16-17H2,1-3H3,(H,28,31)/t20-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide?
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide has a molecular weight of 424.56 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide is sourced from PubChem (CID 100558547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).