N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide

C18H18N6O3 — CID 54605040

IUPACN-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
SMILESO=NN(CC(=O)N/N=C\c1ccccc1)CC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C18H18N6O3/c25-17(21-19-11-15-7-3-1-4-8-15)13-24(23-27)14-18(26)22-20-12-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,21,25)(H,22,26)/b19-11-,20-12+
InChIKeyDBHBVHMBMRHDLM-UHWBUFEVSA-N
MW366.38 g/mol
LogP1.27
Rot. Bonds9

About N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide

N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide (PubChem CID 54605040) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
PubChem CID54605040
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC NameN-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
SMILESO=NN(CC(=O)N/N=C\c1ccccc1)CC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C18H18N6O3/c25-17(21-19-11-15-7-3-1-4-8-15)13-24(23-27)14-18(26)22-20-12-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,21,25)(H,22,26)/b19-11-,20-12+
InChIKeyDBHBVHMBMRHDLM-UHWBUFEVSA-N
XLogP1.27
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
CID 135747209
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
N-[(E)-benzylideneamino]butanamide
CID 6872028
2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135965808
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide
CID 2716777
2-(N-methylsulfonylanilino)-N-[(E)-[4-[(E)-[[2-(N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 16761126
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
[(E)-benzylideneamino]urea
CID 6861419
N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
CID 791586
N'-[(E)-benzylideneamino]-N-phenyloctanediamide
CID 23863272
N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide
CID 3102448

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide (CID 54605040) is N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide is O=NN(CC(=O)N/N=C\c1ccccc1)CC(=O)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide?
The InChIKey is DBHBVHMBMRHDLM-UHWBUFEVSA-N. The full InChI is InChI=1S/C18H18N6O3/c25-17(21-19-11-15-7-3-1-4-8-15)13-24(23-27)14-18(26)22-20-12-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,21,25)(H,22,26)/b19-11-,20-12+.
What are the key properties of N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide?
N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide has a molecular weight of 366.38 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide is sourced from PubChem (CID 54605040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).