2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide

C26H28N2O3 — CID 4953369

IUPAC2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-3-20-13-15-22(16-14-20)31-19(2)25(29)28-24-12-8-7-11-23(24)26(30)27-18-17-21-9-5-4-6-10-21/h4-16,19H,3,17-18H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyANBDDEITCPILDH-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.63
Rot. Bonds9

About 2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide

2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide (PubChem CID 4953369) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
PubChem CID4953369
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-3-20-13-15-22(16-14-20)31-19(2)25(29)28-24-12-8-7-11-23(24)26(30)27-18-17-21-9-5-4-6-10-21/h4-16,19H,3,17-18H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyANBDDEITCPILDH-UHFFFAOYSA-N
XLogP4.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4944061
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92685505
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide
CID 17131474
N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide
CID 133224676
2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-phenylethyl)benzamide
CID 94018440
N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide
CID 17320785
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
2-(4-ethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 17093767
2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 132666482

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide (CID 4953369) is 2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide is CCc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is ANBDDEITCPILDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-3-20-13-15-22(16-14-20)31-19(2)25(29)28-24-12-8-7-11-23(24)26(30)27-18-17-21-9-5-4-6-10-21/h4-16,19H,3,17-18H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide?
2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 4953369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).