2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide

C24H33NO2 — CID 132655072

IUPAC2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(C(C)C)cc1
InChIInChI=1S/C24H33NO2/c1-6-23(27-22-15-18(4)14-19(5)16-22)24(26)25-13-7-8-20-9-11-21(12-10-20)17(2)3/h9-12,14-17,23H,6-8,13H2,1-5H3,(H,25,26)
InChIKeyKLAOJRYWDOPUEC-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.33
Rot. Bonds9

About 2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide

2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide (PubChem CID 132655072) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
PubChem CID132655072
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(C(C)C)cc1
InChIInChI=1S/C24H33NO2/c1-6-23(27-22-15-18(4)14-19(5)16-22)24(26)25-13-7-8-20-9-11-21(12-10-20)17(2)3/h9-12,14-17,23H,6-8,13H2,1-5H3,(H,25,26)
InChIKeyKLAOJRYWDOPUEC-UHFFFAOYSA-N
XLogP5.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.33
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

2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 132652025
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655492
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132653717
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 119549172
(2S)-2-(3,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133215

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide (CID 132655072) is 2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide?
The InChIKey is KLAOJRYWDOPUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-6-23(27-22-15-18(4)14-19(5)16-22)24(26)25-13-7-8-20-9-11-21(12-10-20)17(2)3/h9-12,14-17,23H,6-8,13H2,1-5H3,(H,25,26).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide?
2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide has a molecular weight of 367.53 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide is sourced from PubChem (CID 132655072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).