(E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide

C23H22N2O2 — CID 60556449

IUPAC(E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c26-23(10-9-19-11-13-24-14-12-19)25-16-21-7-4-8-22(15-21)18-27-17-20-5-2-1-3-6-20/h1-15H,16-18H2,(H,25,26)/b10-9+
InChIKeyNRMOHNBADOKERJ-MDZDMXLPSA-N
MW358.44 g/mol
LogP4.13
Rot. Bonds8

About (E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide

(E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 60556449) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID60556449
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c26-23(10-9-19-11-13-24-14-12-19)25-16-21-7-4-8-22(15-21)18-27-17-20-5-2-1-3-6-20/h1-15H,16-18H2,(H,25,26)/b10-9+
InChIKeyNRMOHNBADOKERJ-MDZDMXLPSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 166198814
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377
N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926500
(E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide
CID 39588594
3-(3,4-dichlorophenyl)-N-[[3-[[3-(3,4-dichlorophenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 3261410
(E)-3-(3-bromophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 2458192
N-cyclopropyl-4-[(E)-3-oxo-3-[[4-(phenylmethoxymethyl)phenyl]methylamino]prop-1-enyl]benzamide
CID 55697987
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 60893874
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]prop-2-enamide
CID 76990323
(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide
CID 39585351
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide (CID 60556449) is (E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1ccncc1)NCc1cccc(COCc2ccccc2)c1.
What is the InChIKey of (E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is NRMOHNBADOKERJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-23(10-9-19-11-13-24-14-12-19)25-16-21-7-4-8-22(15-21)18-27-17-20-5-2-1-3-6-20/h1-15H,16-18H2,(H,25,26)/b10-9+.
What are the key properties of (E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 358.44 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 60556449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).