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

C29H27N3O3 — CID 2449612

IUPAC2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc(Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H27N3O3/c1-21(22-10-4-2-5-11-22)30-29(34)26-14-8-9-15-27(26)32-28(33)20-35-25-18-16-24(17-19-25)31-23-12-6-3-7-13-23/h2-19,21,31H,20H2,1H3,(H,30,34)(H,32,33)/t21-/m1/s1
InChIKeyDLZOOERSQGJIDS-OAQYLSRUSA-N
MW465.55 g/mol
LogP5.94
Rot. Bonds9

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

2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 2449612) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID2449612
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc(Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H27N3O3/c1-21(22-10-4-2-5-11-22)30-29(34)26-14-8-9-15-27(26)32-28(33)20-35-25-18-16-24(17-19-25)31-23-12-6-3-7-13-23/h2-19,21,31H,20H2,1H3,(H,30,34)(H,32,33)/t21-/m1/s1
InChIKeyDLZOOERSQGJIDS-OAQYLSRUSA-N
XLogP5.94
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide with MolForge

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Related Compounds

2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7894311
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
CID 4941967
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 132663328
N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 4942027
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4935075
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 24595104
N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555
N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 4942017
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 4-hydroxybenzoate
CID 7866708
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] cyclopropanecarboxylate
CID 7863523

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide (CID 2449612) is 2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc(Nc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is DLZOOERSQGJIDS-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-21(22-10-4-2-5-11-22)30-29(34)26-14-8-9-15-27(26)32-28(33)20-35-25-18-16-24(17-19-25)31-23-12-6-3-7-13-23/h2-19,21,31H,20H2,1H3,(H,30,34)(H,32,33)/t21-/m1/s1.
What are the key properties of 2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide?
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 465.55 g/mol, XLogP of 5.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 2449612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).