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

C19H17N3O2 — CID 108923021

IUPAC2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)CC#N)cc1
InChIInChI=1S/C19H17N3O2/c1-14-6-8-15(9-7-14)10-11-18(23)21-16-4-2-3-5-17(16)22-19(24)12-13-20/h2-11H,12H2,1H3,(H,21,23)(H,22,24)/b11-10+
InChIKeyYFULJYMBSATRHM-ZHACJKMWSA-N
MW319.36 g/mol
LogP3.50
Rot. Bonds5

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

2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide (PubChem CID 108923021) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide
PubChem CID108923021
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)CC#N)cc1
InChIInChI=1S/C19H17N3O2/c1-14-6-8-15(9-7-14)10-11-18(23)21-16-4-2-3-5-17(16)22-19(24)12-13-20/h2-11H,12H2,1H3,(H,21,23)(H,22,24)/b11-10+
InChIKeyYFULJYMBSATRHM-ZHACJKMWSA-N
XLogP3.50
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
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-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide
CID 108923032
(E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide
CID 34170138
N-[2-[(2-cyanoacetyl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108922894
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide
CID 108923793
2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide
CID 582984
(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 17164885
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 108767317
(E)-3-(4-ethoxyphenyl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108767339
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide (CID 108923021) is 2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide is Cc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide?
The InChIKey is YFULJYMBSATRHM-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-14-6-8-15(9-7-14)10-11-18(23)21-16-4-2-3-5-17(16)22-19(24)12-13-20/h2-11H,12H2,1H3,(H,21,23)(H,22,24)/b11-10+.
What are the key properties of 2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide?
2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide is sourced from PubChem (CID 108923021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).