N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide

C26H29N3O4 — CID 54827557

IUPACN-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C26H29N3O4/c1-2-32-14-15-33-24-13-7-11-22(17-24)27-19-25(30)29-23-12-6-10-21(16-23)26(31)28-18-20-8-4-3-5-9-20/h3-13,16-17,27H,2,14-15,18-19H2,1H3,(H,28,31)(H,29,30)
InChIKeyUXBGFXCSVRXZDI-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.08
Rot. Bonds12

About N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide

N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54827557) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
PubChem CID54827557
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C26H29N3O4/c1-2-32-14-15-33-24-13-7-11-22(17-24)27-19-25(30)29-23-12-6-10-21(16-23)26(31)28-18-20-8-4-3-5-9-20/h3-13,16-17,27H,2,14-15,18-19H2,1H3,(H,28,31)(H,29,30)
InChIKeyUXBGFXCSVRXZDI-UHFFFAOYSA-N
XLogP4.08
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.08
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-benzyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842997
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834312
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-methylbenzamide
CID 54827428
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
CID 28638954
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
N-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232
N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827552
N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54827331

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide (CID 54827557) is N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide is CCOCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is UXBGFXCSVRXZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-2-32-14-15-33-24-13-7-11-22(17-24)27-19-25(30)29-23-12-6-10-21(16-23)26(31)28-18-20-8-4-3-5-9-20/h3-13,16-17,27H,2,14-15,18-19H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide?
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 447.54 g/mol, XLogP of 4.08, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54827557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).