N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide

C25H30Cl2N2O2 — CID 132614260

IUPACN-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCC(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C25H30Cl2N2O2/c1-18(25(31)28-20-11-6-3-7-12-20)29(16-15-19-9-4-2-5-10-19)24(30)17-21-22(26)13-8-14-23(21)27/h2,4-5,8-10,13-14,18,20H,3,6-7,11-12,15-17H2,1H3,(H,28,31)
InChIKeyISMHECZSJCCSOD-UHFFFAOYSA-N
MW461.43 g/mol
LogP5.44
Rot. Bonds8

About N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide

N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 132614260) has the molecular formula C25H30Cl2N2O2 and a molecular weight of 461.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
PubChem CID132614260
Molecular FormulaC25H30Cl2N2O2
Molecular Weight461.43 g/mol
Exact Mass460.17
IUPAC NameN-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCC(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C25H30Cl2N2O2/c1-18(25(31)28-20-11-6-3-7-12-20)29(16-15-19-9-4-2-5-10-19)24(30)17-21-22(26)13-8-14-23(21)27/h2,4-5,8-10,13-14,18,20H,3,6-7,11-12,15-17H2,1H3,(H,28,31)
InChIKeyISMHECZSJCCSOD-UHFFFAOYSA-N
XLogP5.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-chlorophenyl)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide
CID 132984685
(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141
(2R)-N-cyclohexyl-2-[2-phenylethyl(propanoyl)amino]propanamide
CID 100521838
(2R)-2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100517182
(2S)-2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100518398
N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132621608
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132947782
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132615250
(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 100506920
(2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 100520603
(2S)-N-cyclohexyl-2-[[2-(N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 100518262
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132614274

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide (CID 132614260) is N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide is CC(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is ISMHECZSJCCSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N2O2/c1-18(25(31)28-20-11-6-3-7-12-20)29(16-15-19-9-4-2-5-10-19)24(30)17-21-22(26)13-8-14-23(21)27/h2,4-5,8-10,13-14,18,20H,3,6-7,11-12,15-17H2,1H3,(H,28,31).
What are the key properties of N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide?
N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 461.43 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132614260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).