(Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide

C13H17N3O — CID 143093080

IUPAC(Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide
SMILESC/N=C(C(/C(=O)NC)=C(\C)N)\c1ccccc1
InChIInChI=1S/C13H17N3O/c1-9(14)11(13(17)16-3)12(15-2)10-7-5-4-6-8-10/h4-8H,14H2,1-3H3,(H,16,17)/b11-9-,15-12+
InChIKeyZJCZKXQBLRBTSH-XOANFOMVSA-N
MW231.30 g/mol
LogP1.08
Rot. Bonds3

About (Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide

(Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide (PubChem CID 143093080) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide
PubChem CID143093080
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide
SMILESC/N=C(C(/C(=O)NC)=C(\C)N)\c1ccccc1
InChIInChI=1S/C13H17N3O/c1-9(14)11(13(17)16-3)12(15-2)10-7-5-4-6-8-10/h4-8H,14H2,1-3H3,(H,16,17)/b11-9-,15-12+
InChIKeyZJCZKXQBLRBTSH-XOANFOMVSA-N
XLogP1.08
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enoic acid
CID 89343741
(Z)-3-amino-2-[N-methyl-C-(4-phenoxyphenyl)carbonimidoyl]but-2-enamide
CID 167111761
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242
(2Z)-N-methyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 15371306
(E)-N-methyl-2,3-diphenylbut-2-enamide
CID 142095500
(2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide
CID 101005235
(2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide
CID 89330128
N-methylbenzamide
CID 11954
(Z)-2-N-methyl-1-phenylprop-1-ene-1,2-diamine
CID 145093299
CID 177403611
CID 177403611
(3Z)-4-methyl-3-[methylamino(phenyl)methylidene]pent-4-en-2-one
CID 144700252
(E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine
CID 134240332

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide?
The IUPAC name of (Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide (CID 143093080) is (Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide.
What is the SMILES notation for (Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide?
The canonical SMILES for (Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide is C/N=C(C(/C(=O)NC)=C(\C)N)\c1ccccc1.
What is the InChIKey of (Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide?
The InChIKey is ZJCZKXQBLRBTSH-XOANFOMVSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(14)11(13(17)16-3)12(15-2)10-7-5-4-6-8-10/h4-8H,14H2,1-3H3,(H,16,17)/b11-9-,15-12+.
What are the key properties of (Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide?
(Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide has a molecular weight of 231.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide is sourced from PubChem (CID 143093080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).