4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide

C18H20ClNO3 — CID 51552249

IUPAC4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c(O)c1
InChIInChI=1S/C18H20ClNO3/c1-12-5-8-16(17(21)10-12)20-18(22)4-3-9-23-14-6-7-15(19)13(2)11-14/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,20,22)
InChIKeyOSYWAOBTUJLRKE-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.46
Rot. Bonds6

About 4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide

4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide (PubChem CID 51552249) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
PubChem CID51552249
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c(O)c1
InChIInChI=1S/C18H20ClNO3/c1-12-5-8-16(17(21)10-12)20-18(22)4-3-9-23-14-6-7-15(19)13(2)11-14/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,20,22)
InChIKeyOSYWAOBTUJLRKE-UHFFFAOYSA-N
XLogP4.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.46
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

4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 20580448
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 19191291
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659
N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 19191287
4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide
CID 55613294
N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072237
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3550936

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide (CID 51552249) is 4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide is Cc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c(O)c1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide?
The InChIKey is OSYWAOBTUJLRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12-5-8-16(17(21)10-12)20-18(22)4-3-9-23-14-6-7-15(19)13(2)11-14/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide has a molecular weight of 333.82 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide is sourced from PubChem (CID 51552249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).