N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide

C30H29N3O4 — CID 4109953

IUPACN-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
SMILESCCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C30H29N3O4/c1-4-36-28-17-22(18-31-33-30(35)29(34)32-26-14-12-20(2)16-21(26)3)13-15-27(28)37-19-24-10-7-9-23-8-5-6-11-25(23)24/h5-18H,4,19H2,1-3H3,(H,32,34)(H,33,35)
InChIKeyWUQACUNXDXKIHJ-UHFFFAOYSA-N
MW495.58 g/mol
LogP5.52
Rot. Bonds8

About N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide

N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide (PubChem CID 4109953) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
PubChem CID4109953
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC NameN-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
SMILESCCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C30H29N3O4/c1-4-36-28-17-22(18-31-33-30(35)29(34)32-26-14-12-20(2)16-21(26)3)13-15-27(28)37-19-24-10-7-9-23-8-5-6-11-25(23)24/h5-18H,4,19H2,1-3H3,(H,32,34)(H,33,35)
InChIKeyWUQACUNXDXKIHJ-UHFFFAOYSA-N
XLogP5.52
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(E)-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 19658408
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4088877
N'-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-bromo-2-methylphenyl)oxamide
CID 4097113
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 4519852
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 132913572
N'-[(E)-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 19658323
N-(2,4-dimethylphenyl)-N'-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3685018
N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 4269018
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 3904306
N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126205495
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 4313414
1-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5092049

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide (CID 4109953) is N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide is CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc2ccccc12.
What is the InChIKey of N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The InChIKey is WUQACUNXDXKIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4/c1-4-36-28-17-22(18-31-33-30(35)29(34)32-26-14-12-20(2)16-21(26)3)13-15-27(28)37-19-24-10-7-9-23-8-5-6-11-25(23)24/h5-18H,4,19H2,1-3H3,(H,32,34)(H,33,35).
What are the key properties of N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide has a molecular weight of 495.58 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 4109953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).