N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide

C22H29NO2 — CID 2072237

IUPACN-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(C)c1
InChIInChI=1S/C22H29NO2/c1-15(2)20-10-9-19(14-17(20)4)25-12-6-7-22(24)23-21-11-8-16(3)13-18(21)5/h8-11,13-15H,6-7,12H2,1-5H3,(H,23,24)
InChIKeyJQFXBIXJQPTFNN-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.53
Rot. Bonds7

About N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide

N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide (PubChem CID 2072237) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
PubChem CID2072237
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(C)c1
InChIInChI=1S/C22H29NO2/c1-15(2)20-10-9-19(14-17(20)4)25-12-6-7-22(24)23-21-11-8-16(3)13-18(21)5/h8-11,13-15H,6-7,12H2,1-5H3,(H,23,24)
InChIKeyJQFXBIXJQPTFNN-UHFFFAOYSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072263
N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072293
N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 53267686
4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 20580448
4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19173643
methyl 3-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 2072267
4-(3-methyl-4-propan-2-ylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 2072259
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
(3-methylphenyl) 4-(3-methyl-4-propan-2-ylphenoxy)butanoate
CID 2072416
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 93487568

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide (CID 2072237) is N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide is Cc1ccc(NC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The InChIKey is JQFXBIXJQPTFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-15(2)20-10-9-19(14-17(20)4)25-12-6-7-22(24)23-21-11-8-16(3)13-18(21)5/h8-11,13-15H,6-7,12H2,1-5H3,(H,23,24).
What are the key properties of N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide has a molecular weight of 339.48 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 2072237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).