N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide

C20H17N3O4 — CID 4584906

IUPACN'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NN=Cc2c(O)ccc3ccccc23)c1
InChIInChI=1S/C20H17N3O4/c1-27-15-7-4-6-14(11-15)22-19(25)20(26)23-21-12-17-16-8-3-2-5-13(16)9-10-18(17)24/h2-12,24H,1H3,(H,22,25)(H,23,26)
InChIKeyXIZYWRLXLYAWSD-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.64
Rot. Bonds4

About N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide

N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide (PubChem CID 4584906) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide
PubChem CID4584906
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NN=Cc2c(O)ccc3ccccc23)c1
InChIInChI=1S/C20H17N3O4/c1-27-15-7-4-6-14(11-15)22-19(25)20(26)23-21-12-17-16-8-3-2-5-13(16)9-10-18(17)24/h2-12,24H,1H3,(H,22,25)(H,23,26)
InChIKeyXIZYWRLXLYAWSD-UHFFFAOYSA-N
XLogP2.64
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 135606654
[1-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6246547
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
3-acetamido-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135684551
[4-[[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 5006155
N'-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 137022058
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1185189
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135607051
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 136704523
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 136720648
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide?
The IUPAC name of N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide (CID 4584906) is N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)NN=Cc2c(O)ccc3ccccc23)c1.
What is the InChIKey of N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide?
The InChIKey is XIZYWRLXLYAWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-27-15-7-4-6-14(11-15)22-19(25)20(26)23-21-12-17-16-8-3-2-5-13(16)9-10-18(17)24/h2-12,24H,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide?
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide has a molecular weight of 363.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 4584906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).