2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide

C23H23N3O4 — CID 54811936

IUPAC2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(=O)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H23N3O4/c24-23(28)18-10-4-5-11-19(18)25-16-22(27)26-20-12-6-7-13-21(20)30-15-14-29-17-8-2-1-3-9-17/h1-13,25H,14-16H2,(H2,24,28)(H,26,27)
InChIKeyYMZQXCUEGFHSBX-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.29
Rot. Bonds10

About 2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide

2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54811936) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
PubChem CID54811936
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(=O)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H23N3O4/c24-23(28)18-10-4-5-11-19(18)25-16-22(27)26-20-12-6-7-13-21(20)30-15-14-29-17-8-2-1-3-9-17/h1-13,25H,14-16H2,(H2,24,28)(H,26,27)
InChIKeyYMZQXCUEGFHSBX-UHFFFAOYSA-N
XLogP3.29
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
CID 154890001
2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide
CID 54826934
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide
CID 54811984
2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814166
N-(3,5-dimethylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827087
N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826760

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of 2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide (CID 54811936) is 2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for 2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide is NC(=O)c1ccccc1NCC(=O)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of 2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is YMZQXCUEGFHSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c24-23(28)18-10-4-5-11-19(18)25-16-22(27)26-20-12-6-7-13-21(20)30-15-14-29-17-8-2-1-3-9-17/h1-13,25H,14-16H2,(H2,24,28)(H,26,27).
What are the key properties of 2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide?
2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide has a molecular weight of 405.45 g/mol, XLogP of 3.29, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54811936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).