N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

C24H18N4O4 — CID 135408611

IUPACN,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C24H18N4O4/c29-21-11-9-15-5-1-3-7-17(15)19(21)13-25-27-23(31)24(32)28-26-14-20-18-8-4-2-6-16(18)10-12-22(20)30/h1-14,29-30H,(H,27,31)(H,28,32)/b25-13+,26-14+
InChIKeyQWOVWBVVPLQBLH-BKHCZYBLSA-N
MW426.43 g/mol
LogP3.00
Rot. Bonds4

About N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (PubChem CID 135408611) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
PubChem CID135408611
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC NameN,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C24H18N4O4/c29-21-11-9-15-5-1-3-7-17(15)19(21)13-25-27-23(31)24(32)28-26-14-20-18-8-4-2-6-16(18)10-12-22(20)30/h1-14,29-30H,(H,27,31)(H,28,32)/b25-13+,26-14+
InChIKeyQWOVWBVVPLQBLH-BKHCZYBLSA-N
XLogP3.00
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Naphthalenecarboxaldehyde, 2-hydroxy-, [(2-hydroxy-1-naphthalenyl)methylene]hydrazone
CID 135444602
Pyrrolidin-1-yl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135411944
N'-[(2-hydroxy-1-naphthyl)methylene]-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarbohydrazide
CID 135458990
N-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]formamide
CID 135676247
Alpha,alpha'-(ethylenedinitrilo)-bis-(1-methyl-2-naphthol)
CID 482314
(E)-N-Hydroxy-7-(2-((2-hydroxynaphthalen-1-yl)methylene)hydrazinyl)-7-oxoheptanamide
CID 135922679
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]cyclopropanecarboxamide
CID 251900
N'-[(2-hydroxy-1-naphthyl)methylene]-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 135438745
Morpholin-4-yl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135536243
2-Hydroxynaphthalene-1-carbaldehyde ((2-hydroxy-1-naphthyl)methylene)hydrazone
CID 75433
1-[[(2-Hydroxyphenyl)methylidenehydrazinylidene]methyl]naphthalen-2-ol
CID 274061
[(2-Oxonaphthalen-1-ylidene)methylamino]urea
CID 135606556

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (CID 135408611) is N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The InChIKey is QWOVWBVVPLQBLH-BKHCZYBLSA-N. The full InChI is InChI=1S/C24H18N4O4/c29-21-11-9-15-5-1-3-7-17(15)19(21)13-25-27-23(31)24(32)28-26-14-20-18-8-4-2-6-16(18)10-12-22(20)30/h1-14,29-30H,(H,27,31)(H,28,32)/b25-13+,26-14+.
What are the key properties of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide has a molecular weight of 426.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is sourced from PubChem (CID 135408611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).