4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide

C24H28Cl4N2O4 — CID 2841733

IUPAC4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCCCNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H28Cl4N2O4/c25-17-7-9-21(19(27)15-17)33-13-3-5-23(31)29-11-1-2-12-30-24(32)6-4-14-34-22-10-8-18(26)16-20(22)28/h7-10,15-16H,1-6,11-14H2,(H,29,31)(H,30,32)
InChIKeyRPMHZPXKOKBIHP-UHFFFAOYSA-N
MW550.31 g/mol
LogP6.33
Rot. Bonds15

About 4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide

4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide (PubChem CID 2841733) has the molecular formula C24H28Cl4N2O4 and a molecular weight of 550.31 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
PubChem CID2841733
Molecular FormulaC24H28Cl4N2O4
Molecular Weight550.31 g/mol
Exact Mass548.08
IUPAC Name4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCCCNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H28Cl4N2O4/c25-17-7-9-21(19(27)15-17)33-13-3-5-23(31)29-11-1-2-12-30-24(32)6-4-14-34-22-10-8-18(26)16-20(22)28/h7-10,15-16H,1-6,11-14H2,(H,29,31)(H,30,32)
InChIKeyRPMHZPXKOKBIHP-UHFFFAOYSA-N
XLogP6.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.31
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide
CID 60550353
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735
4-[2-(2,4-dichlorophenoxy)ethylamino]-4-oxobutanoic acid
CID 9156378
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
CID 60551379
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
CID 120561480
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
CID 55878941
4-(2,4-dichlorophenoxy)-N-(heptylcarbamothioyl)butanamide
CID 3253432

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide (CID 2841733) is 4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NCCCCNC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide?
The InChIKey is RPMHZPXKOKBIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl4N2O4/c25-17-7-9-21(19(27)15-17)33-13-3-5-23(31)29-11-1-2-12-30-24(32)6-4-14-34-22-10-8-18(26)16-20(22)28/h7-10,15-16H,1-6,11-14H2,(H,29,31)(H,30,32).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide?
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide has a molecular weight of 550.31 g/mol, XLogP of 6.33, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide is sourced from PubChem (CID 2841733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).