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

C29H26N2O3 — CID 43887555

IUPACN-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H26N2O3/c1-21(22-8-4-2-5-9-22)30-29(33)25-12-16-26(17-13-25)31-28(32)20-34-27-18-14-24(15-19-27)23-10-6-3-7-11-23/h2-19,21H,20H2,1H3,(H,30,33)(H,31,32)
InChIKeySNQZDOWCCKOLOK-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.86
Rot. Bonds8

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

N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide (PubChem CID 43887555) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
PubChem CID43887555
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC NameN-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H26N2O3/c1-21(22-8-4-2-5-9-22)30-29(33)25-12-16-26(17-13-25)31-28(32)20-34-27-18-14-24(15-19-27)23-10-6-3-7-11-23/h2-19,21H,20H2,1H3,(H,30,33)(H,31,32)
InChIKeySNQZDOWCCKOLOK-UHFFFAOYSA-N
XLogP5.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887517
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887543
4-[[2-(3-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43912204
N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 43887467
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
N-benzyl-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28639925
3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877775
4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 43887594
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 43887636

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide (CID 43887555) is N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide is CC(NC(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide?
The InChIKey is SNQZDOWCCKOLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-21(22-8-4-2-5-9-22)30-29(33)25-12-16-26(17-13-25)31-28(32)20-34-27-18-14-24(15-19-27)23-10-6-3-7-11-23/h2-19,21H,20H2,1H3,(H,30,33)(H,31,32).
What are the key properties of N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide?
N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide has a molecular weight of 450.54 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 43887555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).