(E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide

C23H22N2O3 — CID 166198814

IUPAC(E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide
SMILESCOc1ccc(COCc2cccc(NC(=O)/C=C/c3ccncc3)c2)cc1
InChIInChI=1S/C23H22N2O3/c1-27-22-8-5-19(6-9-22)16-28-17-20-3-2-4-21(15-20)25-23(26)10-7-18-11-13-24-14-12-18/h2-15H,16-17H2,1H3,(H,25,26)/b10-7+
InChIKeyOOJDKXTZKSJBRR-JXMROGBWSA-N
MW374.44 g/mol
LogP4.46
Rot. Bonds8

About (E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide

(E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 166198814) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID166198814
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide
SMILESCOc1ccc(COCc2cccc(NC(=O)/C=C/c3ccncc3)c2)cc1
InChIInChI=1S/C23H22N2O3/c1-27-22-8-5-19(6-9-22)16-28-17-20-3-2-4-21(15-20)25-23(26)10-7-18-11-13-24-14-12-18/h2-15H,16-17H2,1H3,(H,25,26)/b10-7+
InChIKeyOOJDKXTZKSJBRR-JXMROGBWSA-N
XLogP4.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide (CID 166198814) is (E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide is COc1ccc(COCc2cccc(NC(=O)/C=C/c3ccncc3)c2)cc1.
What is the InChIKey of (E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is OOJDKXTZKSJBRR-JXMROGBWSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-27-22-8-5-19(6-9-22)16-28-17-20-3-2-4-21(15-20)25-23(26)10-7-18-11-13-24-14-12-18/h2-15H,16-17H2,1H3,(H,25,26)/b10-7+.
What are the key properties of (E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 374.44 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 166198814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).