2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide

C21H27NO4 — CID 17130600

IUPAC2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide
SMILESCCOCCOc1ccc(NC(=O)C(C)Oc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H27NO4/c1-5-24-12-13-25-19-10-8-18(9-11-19)22-21(23)17(4)26-20-14-15(2)6-7-16(20)3/h6-11,14,17H,5,12-13H2,1-4H3,(H,22,23)
InChIKeyASLQWBOTAGUVTI-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.12
Rot. Bonds9

About 2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide

2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide (PubChem CID 17130600) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide
PubChem CID17130600
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide
SMILESCCOCCOc1ccc(NC(=O)C(C)Oc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H27NO4/c1-5-24-12-13-25-19-10-8-18(9-11-19)22-21(23)17(4)26-20-14-15(2)6-7-16(20)3/h6-11,14,17H,5,12-13H2,1-4H3,(H,22,23)
InChIKeyASLQWBOTAGUVTI-UHFFFAOYSA-N
XLogP4.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 9296809
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide
CID 4945102
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
N-[4-(2-ethoxyethoxy)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 17130597
N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 53266988
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
2-(4-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511595
ethyl 3-[[(2R)-2-(2,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 95078439

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide (CID 17130600) is 2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide is CCOCCOc1ccc(NC(=O)C(C)Oc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide?
The InChIKey is ASLQWBOTAGUVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-24-12-13-25-19-10-8-18(9-11-19)22-21(23)17(4)26-20-14-15(2)6-7-16(20)3/h6-11,14,17H,5,12-13H2,1-4H3,(H,22,23).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide?
2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide has a molecular weight of 357.45 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide is sourced from PubChem (CID 17130600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).