2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide

C20H19N3O3 — CID 108923793

IUPAC2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2CNC(=O)CC#N)cc1
InChIInChI=1S/C20H19N3O3/c1-26-17-9-6-15(7-10-17)8-11-20(25)23-18-5-3-2-4-16(18)14-22-19(24)12-13-21/h2-11H,12,14H2,1H3,(H,22,24)(H,23,25)/b11-8+
InChIKeyPTYYCCSBGRLZHY-DHZHZOJOSA-N
MW349.39 g/mol
LogP2.88
Rot. Bonds7

About 2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide

2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide (PubChem CID 108923793) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide
PubChem CID108923793
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2CNC(=O)CC#N)cc1
InChIInChI=1S/C20H19N3O3/c1-26-17-9-6-15(7-10-17)8-11-20(25)23-18-5-3-2-4-16(18)14-22-19(24)12-13-21/h2-11H,12,14H2,1H3,(H,22,24)(H,23,25)/b11-8+
InChIKeyPTYYCCSBGRLZHY-DHZHZOJOSA-N
XLogP2.88
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918228
N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 108923757
N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926177
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide
CID 108923021
(E)-N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-methylpent-2-enamide
CID 108923829
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
CID 43601058
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 30377596

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide (CID 108923793) is 2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide is COc1ccc(/C=C/C(=O)Nc2ccccc2CNC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide?
The InChIKey is PTYYCCSBGRLZHY-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-17-9-6-15(7-10-17)8-11-20(25)23-18-5-3-2-4-16(18)14-22-19(24)12-13-21/h2-11H,12,14H2,1H3,(H,22,24)(H,23,25)/b11-8+.
What are the key properties of 2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide?
2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide has a molecular weight of 349.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 108923793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).