N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide

C21H27N3O4 — CID 54830494

IUPACN-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(OCCOC)c2)c1
InChIInChI=1S/C21H27N3O4/c1-3-6-20(25)23-17-8-4-7-16(13-17)22-15-21(26)24-18-9-5-10-19(14-18)28-12-11-27-2/h4-5,7-10,13-14,22H,3,6,11-12,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOFKZHDRYBZMMGI-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.50
Rot. Bonds11

About N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide

N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide (PubChem CID 54830494) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
PubChem CID54830494
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(OCCOC)c2)c1
InChIInChI=1S/C21H27N3O4/c1-3-6-20(25)23-17-8-4-7-16(13-17)22-15-21(26)24-18-9-5-10-19(14-18)28-12-11-27-2/h4-5,7-10,13-14,22H,3,6,11-12,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOFKZHDRYBZMMGI-UHFFFAOYSA-N
XLogP3.50
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide 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-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829779
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829747
N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829431
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335
N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827552
methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54817060

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide (CID 54830494) is N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(OCCOC)c2)c1.
What is the InChIKey of N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide?
The InChIKey is OFKZHDRYBZMMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-6-20(25)23-17-8-4-7-16(13-17)22-15-21(26)24-18-9-5-10-19(14-18)28-12-11-27-2/h4-5,7-10,13-14,22H,3,6,11-12,15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide?
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide has a molecular weight of 385.46 g/mol, XLogP of 3.50, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide is sourced from PubChem (CID 54830494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).