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

C22H28N4O3 — CID 54842590

IUPACN-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C22H28N4O3/c1-3-4-5-9-21(28)26-20-8-6-7-19(14-20)23-15-22(29)25-18-12-10-17(11-13-18)24-16(2)27/h6-8,10-14,23H,3-5,9,15H2,1-2H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyHSRGNJCKRHRCSI-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.21
Rot. Bonds10

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

N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide (PubChem CID 54842590) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
PubChem CID54842590
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C22H28N4O3/c1-3-4-5-9-21(28)26-20-8-6-7-19(14-20)23-15-22(29)25-18-12-10-17(11-13-18)24-16(2)27/h6-8,10-14,23H,3-5,9,15H2,1-2H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyHSRGNJCKRHRCSI-UHFFFAOYSA-N
XLogP4.21
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
CID 54841168
N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide
CID 54813231
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-[3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
CID 54841252
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842530
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54822717
N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
CID 54841082
N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
CID 54809172
N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide
CID 54842658
N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54836855
ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate
CID 109009936

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide (CID 54842590) is N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide?
The InChIKey is HSRGNJCKRHRCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-4-5-9-21(28)26-20-8-6-7-19(14-20)23-15-22(29)25-18-12-10-17(11-13-18)24-16(2)27/h6-8,10-14,23H,3-5,9,15H2,1-2H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide?
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide has a molecular weight of 396.49 g/mol, XLogP of 4.21, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide is sourced from PubChem (CID 54842590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).