N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide

C14H13N3O3 — CID 9120780

IUPACN'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide
SMILESCOc1ccc2cc(/C=N\NC(=O)C(N)=O)ccc2c1
InChIInChI=1S/C14H13N3O3/c1-20-12-5-4-10-6-9(2-3-11(10)7-12)8-16-17-14(19)13(15)18/h2-8H,1H3,(H2,15,18)(H,17,19)/b16-8-
InChIKeyYRXAFIIZNNABEY-PXNMLYILSA-N
MW271.28 g/mol
LogP0.78
Rot. Bonds3

About N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide

N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide (PubChem CID 9120780) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide
PubChem CID9120780
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide
SMILESCOc1ccc2cc(/C=N\NC(=O)C(N)=O)ccc2c1
InChIInChI=1S/C14H13N3O3/c1-20-12-5-4-10-6-9(2-3-11(10)7-12)8-16-17-14(19)13(15)18/h2-8H,1H3,(H2,15,18)(H,17,19)/b16-8-
InChIKeyYRXAFIIZNNABEY-PXNMLYILSA-N
XLogP0.78
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-2-phenylacetamide
CID 6001372
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 9120925
N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6248388
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464323
N-(2,4-dimethoxyphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4559899
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 1280138
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide
CID 5115674
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
CID 135579888

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide?
The IUPAC name of N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide (CID 9120780) is N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide is COc1ccc2cc(/C=N\NC(=O)C(N)=O)ccc2c1.
What is the InChIKey of N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide?
The InChIKey is YRXAFIIZNNABEY-PXNMLYILSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-12-5-4-10-6-9(2-3-11(10)7-12)8-16-17-14(19)13(15)18/h2-8H,1H3,(H2,15,18)(H,17,19)/b16-8-.
What are the key properties of N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide?
N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide has a molecular weight of 271.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide is sourced from PubChem (CID 9120780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).