N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide

C29H27N3O3 — CID 4942027

IUPACN-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
SMILESCCc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C29H27N3O3/c1-2-21-12-18-25(19-13-21)35-20-28(33)32-27-11-7-6-10-26(27)29(34)31-24-16-14-23(15-17-24)30-22-8-4-3-5-9-22/h3-19,30H,2,20H2,1H3,(H,31,34)(H,32,33)
InChIKeyNVMDFZXNVTWFNZ-UHFFFAOYSA-N
MW465.55 g/mol
LogP6.26
Rot. Bonds9

About N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide

N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide (PubChem CID 4942027) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
PubChem CID4942027
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC NameN-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
SMILESCCc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C29H27N3O3/c1-2-21-12-18-25(19-13-21)35-20-28(33)32-27-11-7-6-10-26(27)29(34)31-24-16-14-23(15-17-24)30-22-8-4-3-5-9-22/h3-19,30H,2,20H2,1H3,(H,31,34)(H,32,33)
InChIKeyNVMDFZXNVTWFNZ-UHFFFAOYSA-N
XLogP6.26
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 ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
CID 4941967
N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 4942017
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2449612
N-cyclopropyl-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 26906049
4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1230927
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272402
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761
2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 166371906
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 4941425
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide (CID 4942027) is N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide is CCc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide?
The InChIKey is NVMDFZXNVTWFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-2-21-12-18-25(19-13-21)35-20-28(33)32-27-11-7-6-10-26(27)29(34)31-24-16-14-23(15-17-24)30-22-8-4-3-5-9-22/h3-19,30H,2,20H2,1H3,(H,31,34)(H,32,33).
What are the key properties of N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide?
N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide has a molecular weight of 465.55 g/mol, XLogP of 6.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 4942027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).