2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide

C16H19N3O3 — CID 108924406

IUPAC2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide
SMILESCOc1cccc(/C=C/C(=O)NCCCNC(=O)CC#N)c1
InChIInChI=1S/C16H19N3O3/c1-22-14-5-2-4-13(12-14)6-7-15(20)18-10-3-11-19-16(21)8-9-17/h2,4-7,12H,3,8,10-11H2,1H3,(H,18,20)(H,19,21)/b7-6+
InChIKeySEMAGFMXOMVLQG-VOTSOKGWSA-N
MW301.35 g/mol
LogP1.24
Rot. Bonds8

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

2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide (PubChem CID 108924406) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide
PubChem CID108924406
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide
SMILESCOc1cccc(/C=C/C(=O)NCCCNC(=O)CC#N)c1
InChIInChI=1S/C16H19N3O3/c1-22-14-5-2-4-13(12-14)6-7-15(20)18-10-3-11-19-16(21)8-9-17/h2,4-7,12H,3,8,10-11H2,1H3,(H,18,20)(H,19,21)/b7-6+
InChIKeySEMAGFMXOMVLQG-VOTSOKGWSA-N
XLogP1.24
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918842
2-cyano-N-[4-[[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108923387
(E)-3-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylbutyl)prop-2-enamide
CID 27397147
(E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 95936690
N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77056258
(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 7761266
(E)-3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
(E)-N-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 27397163
4-[[3-(3-methoxyphenyl)prop-2-enoylamino]methyl]benzoic acid
CID 67079345
N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77055664

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide (CID 108924406) is 2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide is COc1cccc(/C=C/C(=O)NCCCNC(=O)CC#N)c1.
What is the InChIKey of 2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide?
The InChIKey is SEMAGFMXOMVLQG-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-22-14-5-2-4-13(12-14)6-7-15(20)18-10-3-11-19-16(21)8-9-17/h2,4-7,12H,3,8,10-11H2,1H3,(H,18,20)(H,19,21)/b7-6+.
What are the key properties of 2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide?
2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propyl]acetamide is sourced from PubChem (CID 108924406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).