N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide

C23H22N4O3 — CID 21229401

IUPACN'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N4O3/c1-27(2)19-12-8-17(9-13-19)16-24-26-23(29)22(28)25-18-10-14-21(15-11-18)30-20-6-4-3-5-7-20/h3-16H,1-2H3,(H,25,28)(H,26,29)/b24-16+
InChIKeyZWANXQYTZJYVIB-LFVJCYFKSA-N
MW402.45 g/mol
LogP3.63
Rot. Bonds6

About N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide

N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide (PubChem CID 21229401) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
PubChem CID21229401
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N4O3/c1-27(2)19-12-8-17(9-13-19)16-24-26-23(29)22(28)25-18-10-14-21(15-11-18)30-20-6-4-3-5-7-20/h3-16H,1-2H3,(H,25,28)(H,26,29)/b24-16+
InChIKeyZWANXQYTZJYVIB-LFVJCYFKSA-N
XLogP3.63
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.63
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-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 94833523
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide
CID 4218592
N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6247065
N-(2,5-dimethoxyphenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6112689
N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 19660151
4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6896328
[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 94846398
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 135583538

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide (CID 21229401) is N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide is CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide?
The InChIKey is ZWANXQYTZJYVIB-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-27(2)19-12-8-17(9-13-19)16-24-26-23(29)22(28)25-18-10-14-21(15-11-18)30-20-6-4-3-5-7-20/h3-16H,1-2H3,(H,25,28)(H,26,29)/b24-16+.
What are the key properties of N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide?
N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide has a molecular weight of 402.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide is sourced from PubChem (CID 21229401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).