2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide

C26H35N3O3 — CID 54821096

IUPAC2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C26H35N3O3/c1-2-3-4-8-18-32-24-14-12-22(13-15-24)27-20-25(30)28-23-11-9-10-21(19-23)26(31)29-16-6-5-7-17-29/h9-15,19,27H,2-8,16-18,20H2,1H3,(H,28,30)
InChIKeyRNUXEVLHSHWKHN-UHFFFAOYSA-N
MW437.58 g/mol
LogP5.32
Rot. Bonds11

About 2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide

2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54821096) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID54821096
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C26H35N3O3/c1-2-3-4-8-18-32-24-14-12-22(13-15-24)27-20-25(30)28-23-11-9-10-21(19-23)26(31)29-16-6-5-7-17-29/h9-15,19,27H,2-8,16-18,20H2,1H3,(H,28,30)
InChIKeyRNUXEVLHSHWKHN-UHFFFAOYSA-N
XLogP5.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hexoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843402
N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841009
2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54820582
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838
N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
N-[4-(azepane-1-carbonyl)phenyl]-2-(3-hexoxyanilino)acetamide
CID 54823217
4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168496
2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54825491
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825406
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54822737
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54824283

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (CID 54821096) is 2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is CCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is RNUXEVLHSHWKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-2-3-4-8-18-32-24-14-12-22(13-15-24)27-20-25(30)28-23-11-9-10-21(19-23)26(31)29-16-6-5-7-17-29/h9-15,19,27H,2-8,16-18,20H2,1H3,(H,28,30).
What are the key properties of 2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 437.58 g/mol, XLogP of 5.32, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54821096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).