N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide

C27H34Cl2N2O2 — CID 132617939

IUPACN-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C27H34Cl2N2O2/c1-4-25(27(33)30-23-8-6-5-7-9-23)31(17-21-10-11-22(28)16-24(21)29)26(32)15-20-13-18(2)12-19(3)14-20/h10-14,16,23,25H,4-9,15,17H2,1-3H3,(H,30,33)
InChIKeyUEEBMUWHEGDIHJ-UHFFFAOYSA-N
MW489.49 g/mol
LogP6.41
Rot. Bonds8

About N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide

N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide (PubChem CID 132617939) has the molecular formula C27H34Cl2N2O2 and a molecular weight of 489.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide
PubChem CID132617939
Molecular FormulaC27H34Cl2N2O2
Molecular Weight489.49 g/mol
Exact Mass488.20
IUPAC NameN-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C27H34Cl2N2O2/c1-4-25(27(33)30-23-8-6-5-7-9-23)31(17-21-10-11-22(28)16-24(21)29)26(32)15-20-13-18(2)12-19(3)14-20/h10-14,16,23,25H,4-9,15,17H2,1-3H3,(H,30,33)
InChIKeyUEEBMUWHEGDIHJ-UHFFFAOYSA-N
XLogP6.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.49
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132612519
N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132614286
(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 100535535
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide
CID 132614801
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132614253
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 132616133
2-[[2-(4-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132614247
(2S)-N-cyclohexyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 100588154
(2S)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 100647701
(2S)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 100569380
(2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]butanamide
CID 100569411
(2R)-2-[(2-benzylsulfanylacetyl)-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100569619

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide?
The IUPAC name of N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide (CID 132617939) is N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide.
What is the SMILES notation for N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide?
The canonical SMILES for N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide is CCC(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide?
The InChIKey is UEEBMUWHEGDIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34Cl2N2O2/c1-4-25(27(33)30-23-8-6-5-7-9-23)31(17-21-10-11-22(28)16-24(21)29)26(32)15-20-13-18(2)12-19(3)14-20/h10-14,16,23,25H,4-9,15,17H2,1-3H3,(H,30,33).
What are the key properties of N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide?
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide has a molecular weight of 489.49 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]butanamide is sourced from PubChem (CID 132617939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).