N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide

C18H18N6O5 — CID 135747209

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
SMILESO=NN(CC(=O)N/N=C/c1ccccc1O)CC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C18H18N6O5/c25-15-7-3-1-5-13(15)9-19-21-17(27)11-24(23-29)12-18(28)22-20-10-14-6-2-4-8-16(14)26/h1-10,25-26H,11-12H2,(H,21,27)(H,22,28)/b19-9+,20-10+
InChIKeyNCHWFUJCPSDCAD-LQGKIZFRSA-N
MW398.38 g/mol
LogP0.68
Rot. Bonds9

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide (PubChem CID 135747209) has the molecular formula C18H18N6O5 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
PubChem CID135747209
Molecular FormulaC18H18N6O5
Molecular Weight398.38 g/mol
Exact Mass398.13
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
SMILESO=NN(CC(=O)N/N=C/c1ccccc1O)CC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C18H18N6O5/c25-15-7-3-1-5-13(15)9-19-21-17(27)11-24(23-29)12-18(28)22-20-10-14-6-2-4-8-16(14)26/h1-10,25-26H,11-12H2,(H,21,27)(H,22,28)/b19-9+,20-10+
InChIKeyNCHWFUJCPSDCAD-LQGKIZFRSA-N
XLogP0.68
TPSA156.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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)-benzylideneamino]-2-[[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
CID 54605040
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135679438
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135515655
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 135531764
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 135627903

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide (CID 135747209) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide is O=NN(CC(=O)N/N=C/c1ccccc1O)CC(=O)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide?
The InChIKey is NCHWFUJCPSDCAD-LQGKIZFRSA-N. The full InChI is InChI=1S/C18H18N6O5/c25-15-7-3-1-5-13(15)9-19-21-17(27)11-24(23-29)12-18(28)22-20-10-14-6-2-4-8-16(14)26/h1-10,25-26H,11-12H2,(H,21,27)(H,22,28)/b19-9+,20-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide has a molecular weight of 398.38 g/mol, XLogP of 0.68, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide is sourced from PubChem (CID 135747209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).