N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide

C14H19N3O3 — CID 5115674

IUPACN',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide
SMILESCCN(CC)C(=O)C(=O)NN=Cc1ccc(OC)cc1
InChIInChI=1S/C14H19N3O3/c1-4-17(5-2)14(19)13(18)16-15-10-11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,18)
InChIKeyBSBKWSLNQIUPGK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.01
Rot. Bonds5

About N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide

N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide (PubChem CID 5115674) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide
PubChem CID5115674
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide
SMILESCCN(CC)C(=O)C(=O)NN=Cc1ccc(OC)cc1
InChIInChI=1S/C14H19N3O3/c1-4-17(5-2)14(19)13(18)16-15-10-11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,18)
InChIKeyBSBKWSLNQIUPGK-UHFFFAOYSA-N
XLogP1.01
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
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',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6378231
N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136801991
N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 6391153
N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 5428293
N'-[(Z)-(4-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8900317
N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3318922
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968719

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide (CID 5115674) is N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide is CCN(CC)C(=O)C(=O)NN=Cc1ccc(OC)cc1.
What is the InChIKey of N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is BSBKWSLNQIUPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-17(5-2)14(19)13(18)16-15-10-11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,18).
What are the key properties of N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide?
N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 277.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 5115674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).