N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide

C18H19N3O4 — CID 7601514

IUPACN-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H19N3O4/c1-2-25-15-11-7-6-10-14(15)18(24)19-12-16(22)20-21-17(23)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyNNHWDVVSYGSPPU-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide

N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 7601514) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
PubChem CID7601514
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H19N3O4/c1-2-25-15-11-7-6-10-14(15)18(24)19-12-16(22)20-21-17(23)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyNNHWDVVSYGSPPU-UHFFFAOYSA-N
XLogP1.28
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 41375551
N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
CID 9425595
N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4926581
N-[2-[2-(4-ethylbenzoyl)hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 7601375
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-ethoxy-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 46510511
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
2-ethoxy-N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]benzamide
CID 25396087
4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide (CID 7601514) is N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is NNHWDVVSYGSPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-2-25-15-11-7-6-10-14(15)18(24)19-12-16(22)20-21-17(23)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide?
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 341.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 7601514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).