2-phenoxy-N-phenylbut-2-enamide

C16H15NO2 — CID 70600024

IUPAC2-phenoxy-N-phenylbut-2-enamide
SMILESCC=C(Oc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15NO2/c1-2-15(19-14-11-7-4-8-12-14)16(18)17-13-9-5-3-6-10-13/h2-12H,1H3,(H,17,18)
InChIKeyKUIHLFPNQQKENG-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.61
Rot. Bonds4

About 2-phenoxy-N-phenylbut-2-enamide

2-phenoxy-N-phenylbut-2-enamide (PubChem CID 70600024) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-phenoxy-N-phenylbut-2-enamide.

Molecular Properties

Compound Name2-phenoxy-N-phenylbut-2-enamide
PubChem CID70600024
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-phenoxy-N-phenylbut-2-enamide
SMILESCC=C(Oc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15NO2/c1-2-15(19-14-11-7-4-8-12-14)16(18)17-13-9-5-3-6-10-13/h2-12H,1H3,(H,17,18)
InChIKeyKUIHLFPNQQKENG-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;(Z)-2-(1-nitroethenoxy)-N-phenylbut-2-enamide
CID 145293621
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
[4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate
CID 19845067
phenoxybenzene;N-phenylacetamide
CID 174350344
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
(Z)-2-methoxy-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 56968197
(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
CID 59498038
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
phenyl N-(4-iodophenyl)carbamate
CID 73442286
(Z)-4-oxo-N-(2-oxoethyl)-2-phenoxypent-2-enamide
CID 143297139
1-O-methyl 3-O-phenyl (2E)-2-(1-anilinoethylidene)propanedioate
CID 177473997

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-phenylbut-2-enamide?
The IUPAC name of 2-phenoxy-N-phenylbut-2-enamide (CID 70600024) is 2-phenoxy-N-phenylbut-2-enamide.
What is the SMILES notation for 2-phenoxy-N-phenylbut-2-enamide?
The canonical SMILES for 2-phenoxy-N-phenylbut-2-enamide is CC=C(Oc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-phenoxy-N-phenylbut-2-enamide?
The InChIKey is KUIHLFPNQQKENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-15(19-14-11-7-4-8-12-14)16(18)17-13-9-5-3-6-10-13/h2-12H,1H3,(H,17,18).
What are the key properties of 2-phenoxy-N-phenylbut-2-enamide?
2-phenoxy-N-phenylbut-2-enamide has a molecular weight of 253.30 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-phenylbut-2-enamide is sourced from PubChem (CID 70600024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).