N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide

C12H15N3O2 — CID 6112093

IUPACN-[(E)-1-acetamidopropan-2-ylideneamino]benzamide
SMILESCC(=O)NC/C(C)=N/NC(=O)c1ccccc1
InChIInChI=1S/C12H15N3O2/c1-9(8-13-10(2)16)14-15-12(17)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,13,16)(H,15,17)/b14-9+
InChIKeyHARJTEHJWQSGTC-NTEUORMPSA-N
MW233.27 g/mol
LogP0.93
Rot. Bonds4

About N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide

N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide (PubChem CID 6112093) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1-acetamidopropan-2-ylideneamino]benzamide
PubChem CID6112093
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[(E)-1-acetamidopropan-2-ylideneamino]benzamide
SMILESCC(=O)NC/C(C)=N/NC(=O)c1ccccc1
InChIInChI=1S/C12H15N3O2/c1-9(8-13-10(2)16)14-15-12(17)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,13,16)(H,15,17)/b14-9+
InChIKeyHARJTEHJWQSGTC-NTEUORMPSA-N
XLogP0.93
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
N-[(4-amino-4-oxobutan-2-ylidene)amino]benzamide
CID 3434794
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide
CID 9153067
N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
CID 2834282
N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
N-[(E)-1,1,1-trideuteriopropan-2-ylideneamino]benzamide
CID 175869908
4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
N-[(Z)-[4-oxo-4-[2-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
CID 5369499
N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
CID 6322956

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide?
The IUPAC name of N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide (CID 6112093) is N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide?
The canonical SMILES for N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide is CC(=O)NC/C(C)=N/NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide?
The InChIKey is HARJTEHJWQSGTC-NTEUORMPSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(8-13-10(2)16)14-15-12(17)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,13,16)(H,15,17)/b14-9+.
What are the key properties of N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide?
N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide has a molecular weight of 233.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide is sourced from PubChem (CID 6112093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).