N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide

C20H22N4O4 — CID 4100154

IUPACN,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
SMILESCOc1ccc(C(C)=NNC(=O)C(=O)NN=C(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N4O4/c1-13(15-5-9-17(27-3)10-6-15)21-23-19(25)20(26)24-22-14(2)16-7-11-18(28-4)12-8-16/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyDHPVGRPXAZGFSU-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.08
Rot. Bonds6

About N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide

N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide (PubChem CID 4100154) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
PubChem CID4100154
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
SMILESCOc1ccc(C(C)=NNC(=O)C(=O)NN=C(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N4O4/c1-13(15-5-9-17(27-3)10-6-15)21-23-19(25)20(26)24-22-14(2)16-7-11-18(28-4)12-8-16/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyDHPVGRPXAZGFSU-UHFFFAOYSA-N
XLogP2.08
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.08
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'}

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Related Compounds

N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 19661028
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-methylpropanamide
CID 27877650
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide
CID 17340092
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
CID 3411990
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
N-[1-(4-ethylphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4247577
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide?
The IUPAC name of N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide (CID 4100154) is N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide?
The canonical SMILES for N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide is COc1ccc(C(C)=NNC(=O)C(=O)NN=C(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide?
The InChIKey is DHPVGRPXAZGFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13(15-5-9-17(27-3)10-6-15)21-23-19(25)20(26)24-22-14(2)16-7-11-18(28-4)12-8-16/h5-12H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide?
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide has a molecular weight of 382.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide is sourced from PubChem (CID 4100154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).