3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide

C25H26N2O3 — CID 43877775

IUPAC3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-3-19-12-14-23(15-13-19)30-17-24(28)27-22-11-7-10-21(16-22)25(29)26-18(2)20-8-5-4-6-9-20/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHWWAFWZQXHUGOV-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.76
Rot. Bonds8

About 3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 43877775) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID43877775
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-3-19-12-14-23(15-13-19)30-17-24(28)27-22-11-7-10-21(16-22)25(29)26-18(2)20-8-5-4-6-9-20/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHWWAFWZQXHUGOV-UHFFFAOYSA-N
XLogP4.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752
4-[[2-(3-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43912204
3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842146
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877795
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877767
N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide
CID 39158590
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 43877775) is 3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide is CCc1ccc(OCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1.
What is the InChIKey of 3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is HWWAFWZQXHUGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-19-12-14-23(15-13-19)30-17-24(28)27-22-11-7-10-21(16-22)25(29)26-18(2)20-8-5-4-6-9-20/h4-16,18H,3,17H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43877775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).