N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide

C27H37N3O3 — CID 54830769

IUPACN-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C27H37N3O3/c1-3-4-5-6-18-33-25-9-7-8-24(19-25)29-26(31)20-28-23-12-10-22(11-13-23)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)
InChIKeyQSTZMOPOGQXOBK-UHFFFAOYSA-N
MW451.61 g/mol
LogP5.57
Rot. Bonds11

About N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide

N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide (PubChem CID 54830769) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
PubChem CID54830769
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC NameN-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C27H37N3O3/c1-3-4-5-6-18-33-25-9-7-8-24(19-25)29-26(31)20-28-23-12-10-22(11-13-23)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)
InChIKeyQSTZMOPOGQXOBK-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54820582
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54830898
N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830572
N-[4-(azepane-1-carbonyl)phenyl]-2-(3-hexoxyanilino)acetamide
CID 54823217
2-(3-ethoxyanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54826455
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54822737
N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843222
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096
N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54822272

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide (CID 54830769) is N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide is CCCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)N3CCC(C)CC3)cc2)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
The InChIKey is QSTZMOPOGQXOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-3-4-5-6-18-33-25-9-7-8-24(19-25)29-26(31)20-28-23-12-10-22(11-13-23)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 N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]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 N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54830769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).