2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide

C20H25NO3 — CID 133240011

IUPAC2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1
InChIInChI=1S/C20H25NO3/c1-4-19(24-18-11-10-15(2)16(3)14-18)20(22)21-12-13-23-17-8-6-5-7-9-17/h5-11,14,19H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyKTBNKGYWWIPNNU-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.66
Rot. Bonds8

About 2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide

2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide (PubChem CID 133240011) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
PubChem CID133240011
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1
InChIInChI=1S/C20H25NO3/c1-4-19(24-18-11-10-15(2)16(3)14-18)20(22)21-12-13-23-17-8-6-5-7-9-17/h5-11,14,19H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyKTBNKGYWWIPNNU-UHFFFAOYSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 133252205
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
N-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133164796
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130
(2R)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683627
(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683628
N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133240085
(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
CID 92677784
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide (CID 133240011) is 2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide?
The InChIKey is KTBNKGYWWIPNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-19(24-18-11-10-15(2)16(3)14-18)20(22)21-12-13-23-17-8-6-5-7-9-17/h5-11,14,19H,4,12-13H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide?
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide has a molecular weight of 327.42 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide is sourced from PubChem (CID 133240011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).