2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide

C26H34Cl2N2O3 — CID 132945413

IUPAC2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)C
InChIInChI=1S/C26H34Cl2N2O3/c1-6-23(26(32)29-14-17(2)3)30(15-20-21(27)11-9-12-22(20)28)25(31)16-33-24-13-8-7-10-19(24)18(4)5/h7-13,17-18,23H,6,14-16H2,1-5H3,(H,29,32)
InChIKeyDGGVPEVKGSYINJ-UHFFFAOYSA-N
MW493.48 g/mol
LogP6.08
Rot. Bonds11

About 2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide

2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide (PubChem CID 132945413) has the molecular formula C26H34Cl2N2O3 and a molecular weight of 493.48 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
PubChem CID132945413
Molecular FormulaC26H34Cl2N2O3
Molecular Weight493.48 g/mol
Exact Mass492.19
IUPAC Name2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)C
InChIInChI=1S/C26H34Cl2N2O3/c1-6-23(26(32)29-14-17(2)3)30(15-20-21(27)11-9-12-22(20)28)25(31)16-33-24-13-8-7-10-19(24)18(4)5/h7-13,17-18,23H,6,14-16H2,1-5H3,(H,29,32)
InChIKeyDGGVPEVKGSYINJ-UHFFFAOYSA-N
XLogP6.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.48
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132724771
2-[[2-(3-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132986161
2-[(2-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132673350
2-[[2-(2-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133174502
N-butan-2-yl-2-[(2-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132719319
N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132713657
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 100515257
2-[(2,6-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-ethylbutanamide
CID 132672258
(2S)-2-[(4-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100576885
(2R)-2-[(2,6-dichlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylbutanamide
CID 100602033
2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133174252
(2R)-2-[(2-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100555559

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide (CID 132945413) is 2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide is CCC(C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)C.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide?
The InChIKey is DGGVPEVKGSYINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Cl2N2O3/c1-6-23(26(32)29-14-17(2)3)30(15-20-21(27)11-9-12-22(20)28)25(31)16-33-24-13-8-7-10-19(24)18(4)5/h7-13,17-18,23H,6,14-16H2,1-5H3,(H,29,32).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide?
2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide has a molecular weight of 493.48 g/mol, XLogP of 6.08, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 132945413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).