N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide

C26H21N3O3 — CID 51060568

IUPACN-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H21N3O3/c30-25(28-23-15-8-13-20-11-4-6-14-22(20)23)26(31)29-27-17-21-12-5-7-16-24(21)32-18-19-9-2-1-3-10-19/h1-17H,18H2,(H,28,30)(H,29,31)/b27-17+
InChIKeyAHMZSTKPGCMFLP-WPWMEQJKSA-N
MW423.47 g/mol
LogP4.51
Rot. Bonds6

About N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide

N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 51060568) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID51060568
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC NameN-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H21N3O3/c30-25(28-23-15-8-13-20-11-4-6-14-22(20)23)26(31)29-27-17-21-12-5-7-16-24(21)32-18-19-9-2-1-3-10-19/h1-17H,18H2,(H,28,30)(H,29,31)/b27-17+
InChIKeyAHMZSTKPGCMFLP-WPWMEQJKSA-N
XLogP4.51
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.51
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'}

Analyze N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45054984
N-(4-fluorophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6263424
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4583774
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
4-[[2-[(Z)-[[2-(methylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 8989417
N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8930437
N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3569452
N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8903011
2-(1-bromonaphthalen-2-yl)oxy-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4649867
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 86809471

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide (CID 51060568) is N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide is O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is AHMZSTKPGCMFLP-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H21N3O3/c30-25(28-23-15-8-13-20-11-4-6-14-22(20)23)26(31)29-27-17-21-12-5-7-16-24(21)32-18-19-9-2-1-3-10-19/h1-17H,18H2,(H,28,30)(H,29,31)/b27-17+.
What are the key properties of N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide?
N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 423.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 51060568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).