N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide

C25H33Cl2NO3 — CID 101298681

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide
SMILESCCCCCCCCCc1cccc(OC(C)C(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c1
InChIInChI=1S/C25H33Cl2NO3/c1-4-5-6-7-8-9-10-12-19-13-11-14-20(15-19)31-18(3)25(30)28-22-16-21(26)17(2)23(27)24(22)29/h11,13-16,18,29H,4-10,12H2,1-3H3,(H,28,30)
InChIKeyNRMLAYHRBRFMBZ-UHFFFAOYSA-N
MW466.45 g/mol
LogP7.71
Rot. Bonds12

About N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide (PubChem CID 101298681) has the molecular formula C25H33Cl2NO3 and a molecular weight of 466.45 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide
PubChem CID101298681
Molecular FormulaC25H33Cl2NO3
Molecular Weight466.45 g/mol
Exact Mass465.18
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide
SMILESCCCCCCCCCc1cccc(OC(C)C(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c1
InChIInChI=1S/C25H33Cl2NO3/c1-4-5-6-7-8-9-10-12-19-13-11-14-20(15-19)31-18(3)25(30)28-22-16-21(26)17(2)23(27)24(22)29/h11,13-16,18,29H,4-10,12H2,1-3H3,(H,28,30)
InChIKeyNRMLAYHRBRFMBZ-UHFFFAOYSA-N
XLogP7.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.45
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-octylphenyl) N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 101298579
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-tetradecylphenoxy)acetamide
CID 101298629
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-tridecylphenoxy)propanamide
CID 101298692
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(3-pentylphenoxy)propanamide
CID 101298635
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(2-undecylphenoxy)acetamide
CID 101298619
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-(2-octylphenoxy)propanamide
CID 101298643
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide
CID 20576468
N-(2,4-dichlorophenyl)-2-(3-ethylphenoxy)propanamide
CID 53267195
1-hexyl-3-propan-2-yloxybenzene
CID 159994008
N-(2,3-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266821
3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]benzamide
CID 54288614

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide (CID 101298681) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide is CCCCCCCCCc1cccc(OC(C)C(=O)Nc2cc(Cl)c(C)c(Cl)c2O)c1.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide?
The InChIKey is NRMLAYHRBRFMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33Cl2NO3/c1-4-5-6-7-8-9-10-12-19-13-11-14-20(15-19)31-18(3)25(30)28-22-16-21(26)17(2)23(27)24(22)29/h11,13-16,18,29H,4-10,12H2,1-3H3,(H,28,30).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-(3-nonylphenoxy)propanamide has a molecular weight of 466.45 g/mol, XLogP of 7.71, 12 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-(3-nonylphenoxy)propanamide is sourced from PubChem (CID 101298681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).