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

C25H27NO4 — CID 9296809

IUPAC(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
SMILESCc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C25H27NO4/c1-18-9-10-19(2)24(17-18)30-20(3)25(27)26-21-11-13-23(14-12-21)29-16-15-28-22-7-5-4-6-8-22/h4-14,17,20H,15-16H2,1-3H3,(H,26,27)/t20-/m0/s1
InChIKeyBGFDECUTYWFNIQ-FQEVSTJZSA-N
MW405.49 g/mol
LogP5.17
Rot. Bonds9

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

(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide (PubChem CID 9296809) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
PubChem CID9296809
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
SMILESCc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C25H27NO4/c1-18-9-10-19(2)24(17-18)30-20(3)25(27)26-21-11-13-23(14-12-21)29-16-15-28-22-7-5-4-6-8-22/h4-14,17,20H,15-16H2,1-3H3,(H,26,27)/t20-/m0/s1
InChIKeyBGFDECUTYWFNIQ-FQEVSTJZSA-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'}

Analyze (2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide
CID 17130600
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
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
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 53266988
(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 40865849
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide (CID 9296809) is (2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide is Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1.
What is the InChIKey of (2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide?
The InChIKey is BGFDECUTYWFNIQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27NO4/c1-18-9-10-19(2)24(17-18)30-20(3)25(27)26-21-11-13-23(14-12-21)29-16-15-28-22-7-5-4-6-8-22/h4-14,17,20H,15-16H2,1-3H3,(H,26,27)/t20-/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide?
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(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 (2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide is sourced from PubChem (CID 9296809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).