(E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide

C24H20N2O2 — CID 55904000

IUPAC(E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(=O)NCc1cccc(COc2ccccc2)c1
InChIInChI=1S/C24H20N2O2/c25-16-22-10-5-4-9-21(22)13-14-24(27)26-17-19-7-6-8-20(15-19)18-28-23-11-2-1-3-12-23/h1-15H,17-18H2,(H,26,27)/b14-13+
InChIKeyGIORUXBDDFEUHZ-BUHFOSPRSA-N
MW368.44 g/mol
LogP4.47
Rot. Bonds7

About (E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide

(E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide (PubChem CID 55904000) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide
PubChem CID55904000
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name(E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide
SMILESN#Cc1ccccc1/C=C/C(=O)NCc1cccc(COc2ccccc2)c1
InChIInChI=1S/C24H20N2O2/c25-16-22-10-5-4-9-21(22)13-14-24(27)26-17-19-7-6-8-20(15-19)18-28-23-11-2-1-3-12-23/h1-15H,17-18H2,(H,26,27)/b14-13+
InChIKeyGIORUXBDDFEUHZ-BUHFOSPRSA-N
XLogP4.47
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.47
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)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 37171992
(E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 36714034
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
(E)-3-(2-bromophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 9495750
3-[[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzonitrile
CID 52643102
N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide
CID 4933147
2-cyano-N-[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108924171
(E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
CID 60556449
3-[(3-pyridin-2-ylprop-2-enoylamino)methyl]benzoic acid
CID 126802887
N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55463768
3-[[4-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
CID 1334928

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide (CID 55904000) is (E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide is N#Cc1ccccc1/C=C/C(=O)NCc1cccc(COc2ccccc2)c1.
What is the InChIKey of (E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is GIORUXBDDFEUHZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H20N2O2/c25-16-22-10-5-4-9-21(22)13-14-24(27)26-17-19-7-6-8-20(15-19)18-28-23-11-2-1-3-12-23/h1-15H,17-18H2,(H,26,27)/b14-13+.
What are the key properties of (E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide?
(E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 368.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyanophenyl)-N-[[3-(phenoxymethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 55904000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).