N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide

C26H29N3O4 — CID 54827331

IUPACN-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C26H29N3O4/c1-3-32-14-15-33-24-9-5-8-23(17-24)27-18-25(30)28-21-10-12-22(13-11-21)29-26(31)20-7-4-6-19(2)16-20/h4-13,16-17,27H,3,14-15,18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyMVXLQPIEBKMYRI-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.71
Rot. Bonds11

About N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide

N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide (PubChem CID 54827331) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide
PubChem CID54827331
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C26H29N3O4/c1-3-32-14-15-33-24-9-5-8-23(17-24)27-18-25(30)28-21-10-12-22(13-11-21)29-26(31)20-7-4-6-19(2)16-20/h4-13,16-17,27H,3,14-15,18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyMVXLQPIEBKMYRI-UHFFFAOYSA-N
XLogP4.71
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827734
N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54814544
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827735
N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827552
N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834312
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54827557
N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide (CID 54827331) is N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide is CCOCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1.
What is the InChIKey of N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide?
The InChIKey is MVXLQPIEBKMYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-3-32-14-15-33-24-9-5-8-23(17-24)27-18-25(30)28-21-10-12-22(13-11-21)29-26(31)20-7-4-6-19(2)16-20/h4-13,16-17,27H,3,14-15,18H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide?
N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide has a molecular weight of 447.54 g/mol, XLogP of 4.71, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 54827331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).