2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide

C26H28N2O3 — CID 17233586

IUPAC2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-3-20-9-16-24(17-10-20)31-19(2)26(30)28-23-14-12-22(13-15-23)27-25(29)18-11-21-7-5-4-6-8-21/h4-10,12-17,19H,3,11,18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHIBHJQMSRAHBPV-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.23
Rot. Bonds9

About 2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide

2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide (PubChem CID 17233586) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
PubChem CID17233586
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-3-20-9-16-24(17-10-20)31-19(2)26(30)28-23-14-12-22(13-15-23)27-25(29)18-11-21-7-5-4-6-8-21/h4-10,12-17,19H,3,11,18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHIBHJQMSRAHBPV-UHFFFAOYSA-N
XLogP5.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-nitrophenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
CID 17233582
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
N-ethyl-4-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17234371
(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 9237321
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277
N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide
CID 23409645

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide (CID 17233586) is 2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide is CCc1ccc(OC(C)C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide?
The InChIKey is HIBHJQMSRAHBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-3-20-9-16-24(17-10-20)31-19(2)26(30)28-23-14-12-22(13-15-23)27-25(29)18-11-21-7-5-4-6-8-21/h4-10,12-17,19H,3,11,18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide?
2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide has a molecular weight of 416.52 g/mol, XLogP of 5.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide is sourced from PubChem (CID 17233586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).