N-[(E)-2,2-dimethylpropylideneamino]benzamide

C12H16N2O — CID 11564693

IUPACN-[(E)-2,2-dimethylpropylideneamino]benzamide
SMILESCC(C)(C)/C=N/NC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-12(2,3)9-13-14-11(15)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15)/b13-9+
InChIKeyAMSONEKMVLMUKM-UKTHLTGXSA-N
MW204.27 g/mol
LogP2.45
Rot. Bonds2

About N-[(E)-2,2-dimethylpropylideneamino]benzamide

N-[(E)-2,2-dimethylpropylideneamino]benzamide (PubChem CID 11564693) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[(E)-2,2-dimethylpropylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-2,2-dimethylpropylideneamino]benzamide
PubChem CID11564693
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[(E)-2,2-dimethylpropylideneamino]benzamide
SMILESCC(C)(C)/C=N/NC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-12(2,3)9-13-14-11(15)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15)/b13-9+
InChIKeyAMSONEKMVLMUKM-UKTHLTGXSA-N
XLogP2.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-2,2-dimethylpropylideneamino]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,2-dimethylpropylideneamino]benzamide?
The IUPAC name of N-[(E)-2,2-dimethylpropylideneamino]benzamide (CID 11564693) is N-[(E)-2,2-dimethylpropylideneamino]benzamide.
What is the SMILES notation for N-[(E)-2,2-dimethylpropylideneamino]benzamide?
The canonical SMILES for N-[(E)-2,2-dimethylpropylideneamino]benzamide is CC(C)(C)/C=N/NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-2,2-dimethylpropylideneamino]benzamide?
The InChIKey is AMSONEKMVLMUKM-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,3)9-13-14-11(15)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15)/b13-9+.
What are the key properties of N-[(E)-2,2-dimethylpropylideneamino]benzamide?
N-[(E)-2,2-dimethylpropylideneamino]benzamide has a molecular weight of 204.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,2-dimethylpropylideneamino]benzamide is sourced from PubChem (CID 11564693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).