N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide

C16H21N3O3 — CID 6378231

IUPACN',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)N(CC)CC)cc1
InChIInChI=1S/C16H21N3O3/c1-4-11-22-14-9-7-13(8-10-14)12-17-18-15(20)16(21)19(5-2)6-3/h4,7-10,12H,1,5-6,11H2,2-3H3,(H,18,20)/b17-12-
InChIKeyPXYCWBVCDXCXBF-ATVHPVEESA-N
MW303.36 g/mol
LogP1.57
Rot. Bonds7

About N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide

N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide (PubChem CID 6378231) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
PubChem CID6378231
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)N(CC)CC)cc1
InChIInChI=1S/C16H21N3O3/c1-4-11-22-14-9-7-13(8-10-14)12-17-18-15(20)16(21)19(5-2)6-3/h4,7-10,12H,1,5-6,11H2,2-3H3,(H,18,20)/b17-12-
InChIKeyPXYCWBVCDXCXBF-ATVHPVEESA-N
XLogP1.57
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.57
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide
CID 5115674
N',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136801991
N-(4-prop-2-enoxyphenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989337
N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6896236
N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989325
N-(2-methylpropyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989326
N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 6391153
2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5333365
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]hexadecanamide
CID 51061289
N-(2-methylphenyl)-N'-[(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4637853
N'-[(Z)-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126256887

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide (CID 6378231) is N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide is C=CCOc1ccc(/C=N\NC(=O)C(=O)N(CC)CC)cc1.
What is the InChIKey of N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The InChIKey is PXYCWBVCDXCXBF-ATVHPVEESA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-11-22-14-9-7-13(8-10-14)12-17-18-15(20)16(21)19(5-2)6-3/h4,7-10,12H,1,5-6,11H2,2-3H3,(H,18,20)/b17-12-.
What are the key properties of N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide has a molecular weight of 303.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6378231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).