N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

C21H24N2O3 — CID 46984590

IUPACN-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
SMILESO=C(CC1=CCNCC1)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C21H24N2O3/c24-21(16-17-10-12-22-13-11-17)23-19-8-4-5-9-20(19)26-15-14-25-18-6-2-1-3-7-18/h1-10,22H,11-16H2,(H,23,24)
InChIKeyCUTUIHPPPRBCJM-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.39
Rot. Bonds8

About N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide (PubChem CID 46984590) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
PubChem CID46984590
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
SMILESO=C(CC1=CCNCC1)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C21H24N2O3/c24-21(16-17-10-12-22-13-11-17)23-19-8-4-5-9-20(19)26-15-14-25-18-6-2-1-3-7-18/h1-10,22H,11-16H2,(H,23,24)
InChIKeyCUTUIHPPPRBCJM-UHFFFAOYSA-N
XLogP3.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
(E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide
CID 47000270
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
CID 154890001
5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
CID 17130914
2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814765
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
CID 54817766
ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate
CID 17130997
2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
The IUPAC name of N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide (CID 46984590) is N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
The canonical SMILES for N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide is O=C(CC1=CCNCC1)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
The InChIKey is CUTUIHPPPRBCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-21(16-17-10-12-22-13-11-17)23-19-8-4-5-9-20(19)26-15-14-25-18-6-2-1-3-7-18/h1-10,22H,11-16H2,(H,23,24).
What are the key properties of N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenoxyethoxy)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide is sourced from PubChem (CID 46984590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).