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

C20H17N3O3 — CID 135607051

IUPACN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H17N3O3/c1-13-6-2-5-9-17(13)22-19(25)20(26)23-21-12-16-15-8-4-3-7-14(15)10-11-18(16)24/h2-12,24H,1H3,(H,22,25)(H,23,26)/b21-12+
InChIKeyKOPVNIYJILZKIV-CIAFOILYSA-N
MW347.37 g/mol
LogP2.94
Rot. Bonds3

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

N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide (PubChem CID 135607051) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide
PubChem CID135607051
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H17N3O3/c1-13-6-2-5-9-17(13)22-19(25)20(26)23-21-12-16-15-8-4-3-7-14(15)10-11-18(16)24/h2-12,24H,1H3,(H,22,25)(H,23,26)/b21-12+
InChIKeyKOPVNIYJILZKIV-CIAFOILYSA-N
XLogP2.94
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136715554
N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136815761
N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 135607216
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
(2S)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylanilino)propanamide
CID 136851955
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 135509047
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
[1-[[[2-(2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
CID 4657466
[1-[(Z)-[[2-(2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
CID 6177615

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide?
The IUPAC name of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide (CID 135607051) is N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide is Cc1ccccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide?
The InChIKey is KOPVNIYJILZKIV-CIAFOILYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13-6-2-5-9-17(13)22-19(25)20(26)23-21-12-16-15-8-4-3-7-14(15)10-11-18(16)24/h2-12,24H,1H3,(H,22,25)(H,23,26)/b21-12+.
What are the key properties of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide?
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide has a molecular weight of 347.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide is sourced from PubChem (CID 135607051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).