(E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide

C16H19N3O2 — CID 108923032

IUPAC(E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)/C=C/C(=O)Nc1ccccc1NC(=O)CC#N
InChIInChI=1S/C16H19N3O2/c1-16(2,3)10-8-14(20)18-12-6-4-5-7-13(12)19-15(21)9-11-17/h4-8,10H,9H2,1-3H3,(H,18,20)(H,19,21)/b10-8+
InChIKeyRPRSRFOQMHNJSD-CSKARUKUSA-N
MW285.35 g/mol
LogP3.08
Rot. Bonds4

About (E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide

(E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide (PubChem CID 108923032) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide
PubChem CID108923032
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)/C=C/C(=O)Nc1ccccc1NC(=O)CC#N
InChIInChI=1S/C16H19N3O2/c1-16(2,3)10-8-14(20)18-12-6-4-5-7-13(12)19-15(21)9-11-17/h4-8,10H,9H2,1-3H3,(H,18,20)(H,19,21)/b10-8+
InChIKeyRPRSRFOQMHNJSD-CSKARUKUSA-N
XLogP3.08
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.08
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]methyl]-4,4-dimethylpent-2-enamide
CID 108923814
2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide
CID 108923021
(E)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]-4,4-dimethylpent-2-enamide
CID 108924210
N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide
CID 168521035
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925424
2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide
CID 168522643
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967
(E)-N-[3-[(2-cyanoacetyl)amino]propyl]-4,4-dimethylpent-2-enamide
CID 108924421
2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 110470101
(E)-4,4-dimethyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934343
N-[2-[(2-cyanoacetyl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108922894

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide?
The IUPAC name of (E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide (CID 108923032) is (E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide is CC(C)(C)/C=C/C(=O)Nc1ccccc1NC(=O)CC#N.
What is the InChIKey of (E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide?
The InChIKey is RPRSRFOQMHNJSD-CSKARUKUSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,3)10-8-14(20)18-12-6-4-5-7-13(12)19-15(21)9-11-17/h4-8,10H,9H2,1-3H3,(H,18,20)(H,19,21)/b10-8+.
What are the key properties of (E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide?
(E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide has a molecular weight of 285.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 108923032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).