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

C25H33N3O3 — CID 54833896

IUPACN-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C25H33N3O3/c1-2-3-4-7-18-31-23-14-12-22(13-15-23)27-24(29)19-26-21-10-8-20(9-11-21)25(30)28-16-5-6-17-28/h8-15,26H,2-7,16-19H2,1H3,(H,27,29)
InChIKeyFXLIGEPCASAFBF-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.93
Rot. Bonds11

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

N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54833896) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54833896
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C25H33N3O3/c1-2-3-4-7-18-31-23-14-12-22(13-15-23)27-24(29)19-26-21-10-8-20(9-11-21)25(30)28-16-5-6-17-28/h8-15,26H,2-7,16-19H2,1H3,(H,27,29)
InChIKeyFXLIGEPCASAFBF-UHFFFAOYSA-N
XLogP4.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.93
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-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54823006
N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830572
N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832283
N-(4-hexoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843402
N-[4-(azepane-1-carbonyl)phenyl]-2-(3-hexoxyanilino)acetamide
CID 54823217
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096
N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834026
N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841009
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54820861

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54833896) is N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is CCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is FXLIGEPCASAFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-2-3-4-7-18-31-23-14-12-22(13-15-23)27-24(29)19-26-21-10-8-20(9-11-21)25(30)28-16-5-6-17-28/h8-15,26H,2-7,16-19H2,1H3,(H,27,29).
What are the key properties of N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 423.56 g/mol, XLogP of 4.93, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54833896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).