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

C27H37N3O3 — CID 54820582

IUPAC2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)cc1
InChIInChI=1S/C27H37N3O3/c1-3-4-5-6-18-33-25-12-10-23(11-13-25)28-20-26(31)29-24-9-7-8-22(19-24)27(32)30-16-14-21(2)15-17-30/h7-13,19,21,28H,3-6,14-18,20H2,1-2H3,(H,29,31)
InChIKeyAJNDJBWRIOAJFV-UHFFFAOYSA-N
MW451.61 g/mol
LogP5.57
Rot. Bonds11

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

2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54820582) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is 2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID54820582
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC Name2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)cc1
InChIInChI=1S/C27H37N3O3/c1-3-4-5-6-18-33-25-12-10-23(11-13-25)28-20-26(31)29-24-9-7-8-22(19-24)27(32)30-16-14-21(2)15-17-30/h7-13,19,21,28H,3-6,14-18,20H2,1-2H3,(H,29,31)
InChIKeyAJNDJBWRIOAJFV-UHFFFAOYSA-N
XLogP5.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 55.57
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-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54822737
N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830769
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959
2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54822272
N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830572
N-(4-hexoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843402
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823709
N-(4-ethoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843517
N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841009
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide
CID 43886892

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 54820582) is 2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is CCCCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)cc1.
What is the InChIKey of 2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is AJNDJBWRIOAJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-3-4-5-6-18-33-25-12-10-23(11-13-25)28-20-26(31)29-24-9-7-8-22(19-24)27(32)30-16-14-21(2)15-17-30/h7-13,19,21,28H,3-6,14-18,20H2,1-2H3,(H,29,31).
What are the key properties of 2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 451.61 g/mol, XLogP of 5.57, 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-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54820582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).