N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide

C28H25N3O5 — CID 19660577

IUPACN-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c(OC)c1
InChIInChI=1S/C28H25N3O5/c1-34-23-14-15-25(26(16-23)35-2)30-27(32)28(33)31-29-17-19-10-12-22(13-11-19)36-18-21-8-5-7-20-6-3-4-9-24(20)21/h3-17H,18H2,1-2H3,(H,30,32)(H,31,33)/b29-17+
InChIKeyVYSYLHLSPDQEJA-STBIYBPSSA-N
MW483.52 g/mol
LogP4.52
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide

N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide (PubChem CID 19660577) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
PubChem CID19660577
Molecular FormulaC28H25N3O5
Molecular Weight483.52 g/mol
Exact Mass483.18
IUPAC NameN-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c(OC)c1
InChIInChI=1S/C28H25N3O5/c1-34-23-14-15-25(26(16-23)35-2)30-27(32)28(33)31-29-17-19-10-12-22(13-11-19)36-18-21-8-5-7-20-6-3-4-9-24(20)21/h3-17H,18H2,1-2H3,(H,30,32)(H,31,33)/b29-17+
InChIKeyVYSYLHLSPDQEJA-STBIYBPSSA-N
XLogP4.52
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]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-(2,4-dimethoxyphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4559899
N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
CID 5239711
N-(2,4-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661572
N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 4118036
N-(2-methoxyethyl)-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8930984
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 5335817
N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
CID 4522719
1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 3303187
N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8931005
N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8931002
N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3318922
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4088877

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide (CID 19660577) is N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide is COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The InChIKey is VYSYLHLSPDQEJA-STBIYBPSSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-34-23-14-15-25(26(16-23)35-2)30-27(32)28(33)31-29-17-19-10-12-22(13-11-19)36-18-21-8-5-7-20-6-3-4-9-24(20)21/h3-17H,18H2,1-2H3,(H,30,32)(H,31,33)/b29-17+.
What are the key properties of N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide has a molecular weight of 483.52 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 19660577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).