N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide

C26H27N3O3 — CID 3329595

IUPACN-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H27N3O3/c1-2-3-7-20-10-14-23(15-11-20)28-25(30)26(31)29-27-18-21-12-16-24(17-13-21)32-19-22-8-5-4-6-9-22/h4-6,8-18H,2-3,7,19H2,1H3,(H,28,30)(H,29,31)
InChIKeySMBDNXOMEBRJJJ-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.70
Rot. Bonds9

About N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide

N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 3329595) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID3329595
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H27N3O3/c1-2-3-7-20-10-14-23(15-11-20)28-25(30)26(31)29-27-18-21-12-16-24(17-13-21)32-19-22-8-5-4-6-9-22/h4-6,8-18H,2-3,7,19H2,1H3,(H,28,30)(H,29,31)
InChIKeySMBDNXOMEBRJJJ-UHFFFAOYSA-N
XLogP4.70
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.70
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'}

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Related Compounds

N-(4-ethylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3862743
ethyl 4-[[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate
CID 94846532
N-(4-methylphenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3695690
N-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6068276
N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6176038
N-(4-butoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135821329
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6024308
N-(4-ethylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3300834
N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658895
N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide
CID 6876624

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide (CID 3329595) is N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide is CCCCc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is SMBDNXOMEBRJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-2-3-7-20-10-14-23(15-11-20)28-25(30)26(31)29-27-18-21-12-16-24(17-13-21)32-19-22-8-5-4-6-9-22/h4-6,8-18H,2-3,7,19H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide?
N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 429.52 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 3329595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).