N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide

About N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide (PubChem CID 20576468) has the molecular formula C26H35Cl2NO3 and a molecular weight of 480.48 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide.

Molecular Properties

Compound Name	N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide
PubChem CID	20576468
Molecular Formula	C26H35Cl2NO3
Molecular Weight	480.48 g/mol
Exact Mass	479.20
IUPAC Name	N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide
SMILES	CCC(C)(C)c1cc(CC(C)(C)C)ccc1OC(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O
InChI	InChI=1S/C26H35Cl2NO3/c1-9-26(7,8)18-12-17(14-25(4,5)6)10-11-21(18)32-16(3)24(31)29-20-13-19(27)15(2)22(28)23(20)30/h10-13,16,30H,9,14H2,1-8H3,(H,29,31)
InChIKey	OIRVXFMHBCXDTK-UHFFFAOYSA-N
XLogP	7.69
TPSA	58.56 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	7
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.48
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide?

The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide (CID 20576468) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide.

What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide?

The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide is CCC(C)(C)c1cc(CC(C)(C)C)ccc1OC(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O.

What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide?

The InChIKey is OIRVXFMHBCXDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35Cl2NO3/c1-9-26(7,8)18-12-17(14-25(4,5)6)10-11-21(18)32-16(3)24(31)29-20-13-19(27)15(2)22(28)23(20)30/h10-13,16,30H,9,14H2,1-8H3,(H,29,31).

What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide?

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide has a molecular weight of 480.48 g/mol, XLogP of 7.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide is sourced from PubChem (CID 20576468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).