2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide

C25H32Cl2N2O3 — CID 132724766

IUPAC2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C(C)C
InChIInChI=1S/C25H32Cl2N2O3/c1-6-22(25(31)28-17(4)5)29(14-18-11-12-19(26)13-21(18)27)24(30)15-32-23-10-8-7-9-20(23)16(2)3/h7-13,16-17,22H,6,14-15H2,1-5H3,(H,28,31)
InChIKeyPLVJCHHCRPNCHG-UHFFFAOYSA-N
MW479.45 g/mol
LogP5.83
Rot. Bonds10

About 2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide

2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide (PubChem CID 132724766) has the molecular formula C25H32Cl2N2O3 and a molecular weight of 479.45 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
PubChem CID132724766
Molecular FormulaC25H32Cl2N2O3
Molecular Weight479.45 g/mol
Exact Mass478.18
IUPAC Name2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C(C)C
InChIInChI=1S/C25H32Cl2N2O3/c1-6-22(25(31)28-17(4)5)29(14-18-11-12-19(26)13-21(18)27)24(30)15-32-23-10-8-7-9-20(23)16(2)3/h7-13,16-17,22H,6,14-15H2,1-5H3,(H,28,31)
InChIKeyPLVJCHHCRPNCHG-UHFFFAOYSA-N
XLogP5.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.45
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100589545
N-butan-2-yl-2-[(2-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132719319
2-[(2,4-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 132721009
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-tert-butylphenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
CID 100725224
N-butan-2-yl-2-[[2-(2,4-dichlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
CID 132731137
2-[(2-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132673350
(2R)-2-[[2-(2-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100532669
(2R)-2-[(2-chlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100555559
(2R)-2-[(2,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100528962
2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132671217
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-butan-2-ylbutanamide
CID 132741874
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(3-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
CID 100725144

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide (CID 132724766) is 2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide is CCC(C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C(C)C.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide?
The InChIKey is PLVJCHHCRPNCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O3/c1-6-22(25(31)28-17(4)5)29(14-18-11-12-19(26)13-21(18)27)24(30)15-32-23-10-8-7-9-20(23)16(2)3/h7-13,16-17,22H,6,14-15H2,1-5H3,(H,28,31).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide?
2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide has a molecular weight of 479.45 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 132724766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).