N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide

C12H15N3O — CID 135603698

IUPACN-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide
SMILESC=C/C(=N\N(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C12H15N3O/c1-4-11(14-15(2)3)13-12(16)10-8-6-5-7-9-10/h4-9H,1H2,2-3H3,(H,13,14,16)
InChIKeyIWGOOPWCENGBDF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.48
Rot. Bonds3

About N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide

N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide (PubChem CID 135603698) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide
PubChem CID135603698
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide
SMILESC=C/C(=N\N(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C12H15N3O/c1-4-11(14-15(2)3)13-12(16)10-8-6-5-7-9-10/h4-9H,1H2,2-3H3,(H,13,14,16)
InChIKeyIWGOOPWCENGBDF-UHFFFAOYSA-N
XLogP1.48
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide 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

N-penta-1,3-dien-3-ylbenzamide
CID 76693459
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-[methyl(prop-2-enyl)carbamothioyl]benzamide
CID 71374205
ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
CID 142217510
[(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea
CID 135898797
N-methylbenzamide
CID 11954
N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide
CID 149306381
N-[(Z)-1-(dimethylamino)-3-oxobut-1-en-2-yl]benzamide
CID 12030798
2-(dimethylhydrazinylidene)-1,2-diphenylethanone
CID 73182544
(E)-2-benzamidobut-2-enoic acid
CID 15472529
N-hexa-1,3,5-trien-2-ylbenzamide
CID 123631469
2-benzamidopenta-2,4-dienoic acid
CID 87146493

Frequently Asked Questions

What is the IUPAC name of N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide?
The IUPAC name of N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide (CID 135603698) is N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide.
What is the SMILES notation for N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide?
The canonical SMILES for N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide is C=C/C(=N\N(C)C)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide?
The InChIKey is IWGOOPWCENGBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-4-11(14-15(2)3)13-12(16)10-8-6-5-7-9-10/h4-9H,1H2,2-3H3,(H,13,14,16).
What are the key properties of N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide?
N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide has a molecular weight of 217.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide is sourced from PubChem (CID 135603698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).