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

C28H39N3O3 — CID 54830572

IUPACN-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C28H39N3O3/c1-3-4-5-6-7-20-34-26-14-12-25(13-15-26)30-27(32)21-29-24-10-8-23(9-11-24)28(33)31-18-16-22(2)17-19-31/h8-15,22,29H,3-7,16-21H2,1-2H3,(H,30,32)
InChIKeySRYUKOGXWJXJSU-UHFFFAOYSA-N
MW465.64 g/mol
LogP5.96
Rot. Bonds12

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

N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide (PubChem CID 54830572) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
PubChem CID54830572
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC NameN-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C28H39N3O3/c1-3-4-5-6-7-20-34-26-14-12-25(13-15-26)30-27(32)21-29-24-10-8-23(9-11-24)28(33)31-18-16-22(2)17-19-31/h8-15,22,29H,3-7,16-21H2,1-2H3,(H,30,32)
InChIKeySRYUKOGXWJXJSU-UHFFFAOYSA-N
XLogP5.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 55.96
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

N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54820582
N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830769
N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54831051
N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832283
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54822737
N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54823006
2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54815489
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54830898
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096
N-[4-(azepane-1-carbonyl)phenyl]-2-(3-hexoxyanilino)acetamide
CID 54823217
N-(4-hexoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843402

Frequently Asked Questions

What is the IUPAC name of N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide (CID 54830572) is N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide is CCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
The InChIKey is SRYUKOGXWJXJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-3-4-5-6-7-20-34-26-14-12-25(13-15-26)30-27(32)21-29-24-10-8-23(9-11-24)28(33)31-18-16-22(2)17-19-31/h8-15,22,29H,3-7,16-21H2,1-2H3,(H,30,32).
What are the key properties of N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide has a molecular weight of 465.64 g/mol, XLogP of 5.96, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54830572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).