2-methyl-N-(2-methylpropylideneamino)benzamide

C12H16N2O — CID 4623987

IUPAC2-methyl-N-(2-methylpropylideneamino)benzamide
SMILESCc1ccccc1C(=O)NN=CC(C)C
InChIInChI=1S/C12H16N2O/c1-9(2)8-13-14-12(15)11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H,14,15)
InChIKeyLETYGPPACBQOCQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.37
Rot. Bonds3

About 2-methyl-N-(2-methylpropylideneamino)benzamide

2-methyl-N-(2-methylpropylideneamino)benzamide (PubChem CID 4623987) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropylideneamino)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropylideneamino)benzamide
PubChem CID4623987
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-methyl-N-(2-methylpropylideneamino)benzamide
SMILESCc1ccccc1C(=O)NN=CC(C)C
InChIInChI=1S/C12H16N2O/c1-9(2)8-13-14-12(15)11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H,14,15)
InChIKeyLETYGPPACBQOCQ-UHFFFAOYSA-N
XLogP2.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.37
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 2-methyl-N-(2-methylpropylideneamino)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

2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7392408
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 19061065
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135688246
2-N,5-N-bis(2-methylpropylideneamino)furan-2,5-dicarboxamide
CID 4614980
2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7788018
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-methylbenzamide
CID 4980851

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropylideneamino)benzamide?
The IUPAC name of 2-methyl-N-(2-methylpropylideneamino)benzamide (CID 4623987) is 2-methyl-N-(2-methylpropylideneamino)benzamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropylideneamino)benzamide?
The canonical SMILES for 2-methyl-N-(2-methylpropylideneamino)benzamide is Cc1ccccc1C(=O)NN=CC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropylideneamino)benzamide?
The InChIKey is LETYGPPACBQOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(2)8-13-14-12(15)11-7-5-4-6-10(11)3/h4-9H,1-3H3,(H,14,15).
What are the key properties of 2-methyl-N-(2-methylpropylideneamino)benzamide?
2-methyl-N-(2-methylpropylideneamino)benzamide has a molecular weight of 204.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropylideneamino)benzamide is sourced from PubChem (CID 4623987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).