N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide

C18H17NO4 — CID 70580651

IUPACN-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C18H17NO4/c1-2-17(21)19-10-11-23-14-8-9-15(16(20)12-14)18(22)13-6-4-3-5-7-13/h2-9,12,20H,1,10-11H2,(H,19,21)
InChIKeyXRVHFFSQOOEMEB-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.30
Rot. Bonds7

About N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide

N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide (PubChem CID 70580651) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide
PubChem CID70580651
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC NameN-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C18H17NO4/c1-2-17(21)19-10-11-23-14-8-9-15(16(20)12-14)18(22)13-6-4-3-5-7-13/h2-9,12,20H,1,10-11H2,(H,19,21)
InChIKeyXRVHFFSQOOEMEB-UHFFFAOYSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
CID 10945581
[3-(4-benzoyl-3-hydroxyphenoxy)-1-hydroxypropyl] prop-2-enoate
CID 174450437
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 54336810
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219
ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone
CID 162734558
[4-[4-(4-benzyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone
CID 58175145
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
2-(4-benzoyl-3-hydroxyphenoxy)acetyl chloride
CID 19380030
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide (CID 70580651) is N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide is C=CC(=O)NCCOc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide?
The InChIKey is XRVHFFSQOOEMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-17(21)19-10-11-23-14-8-9-15(16(20)12-14)18(22)13-6-4-3-5-7-13/h2-9,12,20H,1,10-11H2,(H,19,21).
What are the key properties of N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide?
N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide has a molecular weight of 311.34 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 70580651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).