4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide

C11H15N3O — CID 144842874

IUPAC4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide
SMILES[H]/N=C/c1ccc(C(=O)NCCNC)cc1
InChIInChI=1S/C11H15N3O/c1-13-6-7-14-11(15)10-4-2-9(8-12)3-5-10/h2-5,8,12-13H,6-7H2,1H3,(H,14,15)/b12-8+
InChIKeyOTUJQTBZAYIHQK-XYOKQWHBSA-N
MW205.26 g/mol
LogP0.63
Rot. Bonds5

About 4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide

4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide (PubChem CID 144842874) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide
PubChem CID144842874
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide
SMILES[H]/N=C/c1ccc(C(=O)NCCNC)cc1
InChIInChI=1S/C11H15N3O/c1-13-6-7-14-11(15)10-4-2-9(8-12)3-5-10/h2-5,8,12-13H,6-7H2,1H3,(H,14,15)/b12-8+
InChIKeyOTUJQTBZAYIHQK-XYOKQWHBSA-N
XLogP0.63
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
CID 119503363
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
methyl 4-(4-methanimidoylphenyl)benzoate
CID 142312095
N-ethyl-1-(4-methanimidoylphenyl)ethenamine
CID 142184056
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
CID 119503431
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
4-acetyl-N-[6-(methylamino)hexyl]benzamide
CID 54472432

Frequently Asked Questions

What is the IUPAC name of 4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide (CID 144842874) is 4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide is [H]/N=C/c1ccc(C(=O)NCCNC)cc1.
What is the InChIKey of 4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is OTUJQTBZAYIHQK-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13-6-7-14-11(15)10-4-2-9(8-12)3-5-10/h2-5,8,12-13H,6-7H2,1H3,(H,14,15)/b12-8+.
What are the key properties of 4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide?
4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 205.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoyl-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 144842874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).