N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide

C23H31N3O4 — CID 54834312

IUPACN-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCOCC)c2)c1
InChIInChI=1S/C23H31N3O4/c1-3-5-12-24-23(28)18-8-6-9-19(15-18)25-17-22(27)26-20-10-7-11-21(16-20)30-14-13-29-4-2/h6-11,15-16,25H,3-5,12-14,17H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyVKZKNCXBIWWFHY-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.68
Rot. Bonds13

About N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide

N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54834312) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54834312
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCOCC)c2)c1
InChIInChI=1S/C23H31N3O4/c1-3-5-12-24-23(28)18-8-6-9-19(15-18)25-17-22(27)26-20-10-7-11-21(16-20)30-14-13-29-4-2/h6-11,15-16,25H,3-5,12-14,17H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyVKZKNCXBIWWFHY-UHFFFAOYSA-N
XLogP3.68
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide 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-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842538
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54827557
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54832168
N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54830283
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007
N-butyl-3-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17197307
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54834312) is N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide is CCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCOCC)c2)c1.
What is the InChIKey of N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is VKZKNCXBIWWFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-3-5-12-24-23(28)18-8-6-9-19(15-18)25-17-22(27)26-20-10-7-11-21(16-20)30-14-13-29-4-2/h6-11,15-16,25H,3-5,12-14,17H2,1-2H3,(H,24,28)(H,26,27).
What are the key properties of N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide?
N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 413.52 g/mol, XLogP of 3.68, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).