(E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide

C17H17NO4 — CID 110501090

IUPAC(E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C17H17NO4/c1-21-12-22-14-9-6-13(7-10-14)8-11-17(20)18-15-4-2-3-5-16(15)19/h2-11,19H,12H2,1H3,(H,18,20)/b11-8+
InChIKeyDWIZVKIXKZZTIH-DHZHZOJOSA-N
MW299.33 g/mol
LogP3.03
Rot. Bonds6

About (E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide

(E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide (PubChem CID 110501090) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
PubChem CID110501090
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C17H17NO4/c1-21-12-22-14-9-6-13(7-10-14)8-11-17(20)18-15-4-2-3-5-16(15)19/h2-11,19H,12H2,1H3,(H,18,20)/b11-8+
InChIKeyDWIZVKIXKZZTIH-DHZHZOJOSA-N
XLogP3.03
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501086
N-[(2-hydroxyphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 871823
(E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501087
(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497154
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 110501197
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 2792142
(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 55771428
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide (CID 110501090) is (E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide is COCOc1ccc(/C=C/C(=O)Nc2ccccc2O)cc1.
What is the InChIKey of (E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
The InChIKey is DWIZVKIXKZZTIH-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H17NO4/c1-21-12-22-14-9-6-13(7-10-14)8-11-17(20)18-15-4-2-3-5-16(15)19/h2-11,19H,12H2,1H3,(H,18,20)/b11-8+.
What are the key properties of (E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
(E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide has a molecular weight of 299.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 110501090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).