N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide

C13H17N3O2 — CID 9153067

IUPACN-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide
SMILESCC/C(C)=N/NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-3-10(2)15-16-12(17)9-14-13(18)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,14,18)(H,16,17)/b15-10+
InChIKeyONYAYEIDHJOKIP-XNTDXEJSSA-N
MW247.30 g/mol
LogP1.32
Rot. Bonds5

About N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide

N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide (PubChem CID 9153067) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide
PubChem CID9153067
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide
SMILESCC/C(C)=N/NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-3-10(2)15-16-12(17)9-14-13(18)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,14,18)(H,16,17)/b15-10+
InChIKeyONYAYEIDHJOKIP-XNTDXEJSSA-N
XLogP1.32
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.32
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

2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide
CID 7933305
N-[2-oxo-2-[2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]pyridine-4-carboxamide
CID 3412755
N-[2-[2-[2-[(2-benzamidoacetyl)hydrazinylidene]ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4082934
2-benzamidoacetic acid;hydrofluoride
CID 174760685
N-[(E)-1-acetamidopropan-2-ylideneamino]benzamide
CID 6112093
N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide
CID 7230019
N-[2-oxo-2-[(2Z)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6281402
N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
CID 5333667
2-bromo-N-[2-oxo-2-[2-(1-phenylethylidene)hydrazinyl]ethyl]benzamide
CID 7224842
N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031754
3-fluoro-N-[2-oxo-2-[(2Z)-2-(1-phenylbutylidene)hydrazinyl]ethyl]benzamide
CID 6032270
2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide
CID 171980714

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide (CID 9153067) is N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide is CC/C(C)=N/NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is ONYAYEIDHJOKIP-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-10(2)15-16-12(17)9-14-13(18)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,14,18)(H,16,17)/b15-10+.
What are the key properties of N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide?
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 247.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 9153067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).