N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide

C20H25NO3 — CID 133240246

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCCOc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H25NO3/c1-14-5-7-18(8-6-14)24-17(4)20(22)21-9-10-23-19-12-15(2)11-16(3)13-19/h5-8,11-13,17H,9-10H2,1-4H3,(H,21,22)
InChIKeyMISZOSFRSDKOQA-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide (PubChem CID 133240246) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
PubChem CID133240246
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCCOc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H25NO3/c1-14-5-7-18(8-6-14)24-17(4)20(22)21-9-10-23-19-12-15(2)11-16(3)13-19/h5-8,11-13,17H,9-10H2,1-4H3,(H,21,22)
InChIKeyMISZOSFRSDKOQA-UHFFFAOYSA-N
XLogP3.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.57
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

(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 95161756
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132652833
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 30794885
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162988
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide (CID 133240246) is N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NCCOc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is MISZOSFRSDKOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-5-7-18(8-6-14)24-17(4)20(22)21-9-10-23-19-12-15(2)11-16(3)13-19/h5-8,11-13,17H,9-10H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 327.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 133240246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).