2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide

C25H27NO4 — CID 17123595

IUPAC2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
SMILESCc1cccc(C)c1OC(C)C(=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C25H27NO4/c1-18-9-7-10-19(2)24(18)30-20(3)25(27)26-21-11-8-14-23(17-21)29-16-15-28-22-12-5-4-6-13-22/h4-14,17,20H,15-16H2,1-3H3,(H,26,27)
InChIKeyQXIFBWCILAOLQU-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.17
Rot. Bonds9

About 2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide

2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide (PubChem CID 17123595) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
PubChem CID17123595
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
SMILESCc1cccc(C)c1OC(C)C(=O)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C25H27NO4/c1-18-9-7-10-19(2)24(18)30-20(3)25(27)26-21-11-8-14-23(17-21)29-16-15-28-22-12-5-4-6-13-22/h4-14,17,20H,15-16H2,1-3H3,(H,26,27)
InChIKeyQXIFBWCILAOLQU-UHFFFAOYSA-N
XLogP5.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.17
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

2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 4958482
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
N-(3-hexoxyphenyl)-2-phenoxypropanamide
CID 17094791
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 17231402
2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4958569
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline
CID 54800741
2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4958565
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 9297829
N-[3-(2-ethoxyethoxy)phenyl]-2-(2-methoxyphenoxy)propanamide
CID 19628748
2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 4958570
N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide
CID 17122473

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide (CID 17123595) is 2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide is Cc1cccc(C)c1OC(C)C(=O)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide?
The InChIKey is QXIFBWCILAOLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-18-9-7-10-19(2)24(18)30-20(3)25(27)26-21-11-8-14-23(17-21)29-16-15-28-22-12-5-4-6-13-22/h4-14,17,20H,15-16H2,1-3H3,(H,26,27).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide?
2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide has a molecular weight of 405.49 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide is sourced from PubChem (CID 17123595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).