N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide

C26H33FN2O2 — CID 132610239

IUPACN-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
SMILESCc1ccc(CC(=O)N(Cc2ccc(F)cc2)C(C)C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C26H33FN2O2/c1-18-9-10-22(15-19(18)2)16-25(30)29(17-21-11-13-23(27)14-12-21)20(3)26(31)28-24-7-5-4-6-8-24/h9-15,20,24H,4-8,16-17H2,1-3H3,(H,28,31)
InChIKeyAQTXFTSCAJHZIZ-UHFFFAOYSA-N
MW424.56 g/mol
LogP4.85
Rot. Bonds7

About N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide

N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide (PubChem CID 132610239) has the molecular formula C26H33FN2O2 and a molecular weight of 424.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
PubChem CID132610239
Molecular FormulaC26H33FN2O2
Molecular Weight424.56 g/mol
Exact Mass424.25
IUPAC NameN-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
SMILESCc1ccc(CC(=O)N(Cc2ccc(F)cc2)C(C)C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C26H33FN2O2/c1-18-9-10-22(15-19(18)2)16-25(30)29(17-21-11-13-23(27)14-12-21)20(3)26(31)28-24-7-5-4-6-8-24/h9-15,20,24H,4-8,16-17H2,1-3H3,(H,28,31)
InChIKeyAQTXFTSCAJHZIZ-UHFFFAOYSA-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

N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132984690
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132985428
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611313
N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132985311
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610793
N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760851
N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760515
2-[(3-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 133248539
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610789
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132947782
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132763256
N-cyclohexyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132621611

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide (CID 132610239) is N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide is Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)C(C)C(=O)NC2CCCCC2)cc1C.
What is the InChIKey of N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide?
The InChIKey is AQTXFTSCAJHZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O2/c1-18-9-10-22(15-19(18)2)16-25(30)29(17-21-11-13-23(27)14-12-21)20(3)26(31)28-24-7-5-4-6-8-24/h9-15,20,24H,4-8,16-17H2,1-3H3,(H,28,31).
What are the key properties of N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide?
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-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 N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide is sourced from PubChem (CID 132610239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).