N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide

C24H33N3O4 — CID 54841252

IUPACN-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(OCCOCC)cc2)c1
InChIInChI=1S/C24H33N3O4/c1-3-5-6-10-23(28)27-21-9-7-8-20(17-21)25-18-24(29)26-19-11-13-22(14-12-19)31-16-15-30-4-2/h7-9,11-14,17,25H,3-6,10,15-16,18H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyITOHYDUGJAFEIY-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.67
Rot. Bonds14

About N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide

N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide (PubChem CID 54841252) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
PubChem CID54841252
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC NameN-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(OCCOCC)cc2)c1
InChIInChI=1S/C24H33N3O4/c1-3-5-6-10-23(28)27-21-9-7-8-20(17-21)25-18-24(29)26-19-11-13-22(14-12-19)31-16-15-30-4-2/h7-9,11-14,17,25H,3-6,10,15-16,18H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyITOHYDUGJAFEIY-UHFFFAOYSA-N
XLogP4.67
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.67
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-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide 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-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54822717
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825386
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
N-[3-(2-ethoxyethoxy)phenyl]tetradecanamide
CID 54789458
N-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
CID 54841168
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54825283
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide (CID 54841252) is N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(OCCOCC)cc2)c1.
What is the InChIKey of N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide?
The InChIKey is ITOHYDUGJAFEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-3-5-6-10-23(28)27-21-9-7-8-20(17-21)25-18-24(29)26-19-11-13-22(14-12-19)31-16-15-30-4-2/h7-9,11-14,17,25H,3-6,10,15-16,18H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide?
N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide has a molecular weight of 427.55 g/mol, XLogP of 4.67, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide is sourced from PubChem (CID 54841252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).