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

C13H17NO4 — CID 110497154

IUPAC(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)NCCO)cc1
InChIInChI=1S/C13H17NO4/c1-17-10-18-12-5-2-11(3-6-12)4-7-13(16)14-8-9-15/h2-7,15H,8-10H2,1H3,(H,14,16)/b7-4+
InChIKeyXPUNWTXGELTEEB-QPJJXVBHSA-N
MW251.28 g/mol
LogP0.79
Rot. Bonds7

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

(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide (PubChem CID 110497154) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
PubChem CID110497154
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)NCCO)cc1
InChIInChI=1S/C13H17NO4/c1-17-10-18-12-5-2-11(3-6-12)4-7-13(16)14-8-9-15/h2-7,15H,8-10H2,1H3,(H,14,16)/b7-4+
InChIKeyXPUNWTXGELTEEB-QPJJXVBHSA-N
XLogP0.79
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[3-(dimethylamino)propyl]-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497194
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 13364699
(E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501087
(E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501090
(Z)-N-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 141167180
(E)-3-[4-(methoxymethoxy)phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 110497183
N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 76857065
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450
(E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
CID 110497204
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079
(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497187

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide (CID 110497154) is (E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide is COCOc1ccc(/C=C/C(=O)NCCO)cc1.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
The InChIKey is XPUNWTXGELTEEB-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-10-18-12-5-2-11(3-6-12)4-7-13(16)14-8-9-15/h2-7,15H,8-10H2,1H3,(H,14,16)/b7-4+.
What are the key properties of (E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide has a molecular weight of 251.28 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 110497154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).