N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide

C19H20N4O4 — CID 44726282

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
SMILESCOc1ccc(/C=N\NC(=O)CC(=O)N/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N4O4/c1-26-16-7-3-14(4-8-16)12-20-22-18(24)11-19(25)23-21-13-15-5-9-17(27-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)/b20-12-,21-13+
InChIKeyPSLFJXMSWPLIPH-AYRZQKSOSA-N
MW368.39 g/mol
LogP1.69
Rot. Bonds8

About N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide (PubChem CID 44726282) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
PubChem CID44726282
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
SMILESCOc1ccc(/C=N\NC(=O)CC(=O)N/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20N4O4/c1-26-16-7-3-14(4-8-16)12-20-22-18(24)11-19(25)23-21-13-15-5-9-17(27-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)/b20-12-,21-13+
InChIKeyPSLFJXMSWPLIPH-AYRZQKSOSA-N
XLogP1.69
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N'-(benzylideneamino)-N-(4-methoxyphenyl)propanediamide
CID 5156637
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
CID 3489457
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
N-(4-methoxyphenyl)-N'-[(4-prop-2-ynoxyphenyl)methylideneamino]propanediamide
CID 3979291
methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 2303785
2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1243754

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide (CID 44726282) is N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide is COc1ccc(/C=N\NC(=O)CC(=O)N/N=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide?
The InChIKey is PSLFJXMSWPLIPH-AYRZQKSOSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-26-16-7-3-14(4-8-16)12-20-22-18(24)11-19(25)23-21-13-15-5-9-17(27-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)/b20-12-,21-13+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide has a molecular weight of 368.39 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 44726282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).