(E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide

C19H21NO3 — CID 47000270

IUPAC(E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide
SMILESC/C=C/CC(=O)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-3-13-19(21)20-17-11-7-8-12-18(17)23-15-14-22-16-9-5-4-6-10-16/h2-12H,13-15H2,1H3,(H,20,21)/b3-2+
InChIKeyOYJKWNMWDMENPF-NSCUHMNNSA-N
MW311.38 g/mol
LogP4.05
Rot. Bonds8

About (E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide

(E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide (PubChem CID 47000270) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide
PubChem CID47000270
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide
SMILESC/C=C/CC(=O)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-3-13-19(21)20-17-11-7-8-12-18(17)23-15-14-22-16-9-5-4-6-10-16/h2-12H,13-15H2,1H3,(H,20,21)/b3-2+
InChIKeyOYJKWNMWDMENPF-NSCUHMNNSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
CID 17130914
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate
CID 17130997
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
CID 154890001
N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
CID 54817766
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide?
The IUPAC name of (E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide (CID 47000270) is (E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide.
What is the SMILES notation for (E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide?
The canonical SMILES for (E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide is C/C=C/CC(=O)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of (E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide?
The InChIKey is OYJKWNMWDMENPF-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-3-13-19(21)20-17-11-7-8-12-18(17)23-15-14-22-16-9-5-4-6-10-16/h2-12H,13-15H2,1H3,(H,20,21)/b3-2+.
What are the key properties of (E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide?
(E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide has a molecular weight of 311.38 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide is sourced from PubChem (CID 47000270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).