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

C16H21N3O3 — CID 8989325

IUPACN-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)NCCCC)cc1
InChIInChI=1S/C16H21N3O3/c1-3-5-10-17-15(20)16(21)19-18-12-13-6-8-14(9-7-13)22-11-4-2/h4,6-9,12H,2-3,5,10-11H2,1H3,(H,17,20)(H,19,21)/b18-12-
InChIKeyDAGIVULHRTUPHQ-PDGQHHTCSA-N
MW303.36 g/mol
LogP1.62
Rot. Bonds8

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

N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide (PubChem CID 8989325) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
PubChem CID8989325
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)NCCCC)cc1
InChIInChI=1S/C16H21N3O3/c1-3-5-10-17-15(20)16(21)19-18-12-13-6-8-14(9-7-13)22-11-4-2/h4,6-9,12H,2-3,5,10-11H2,1H3,(H,17,20)(H,19,21)/b18-12-
InChIKeyDAGIVULHRTUPHQ-PDGQHHTCSA-N
XLogP1.62
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-propan-2-yloxypropyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989348
N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]hexadecanamide
CID 51061289
N-(2-methylpropyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989326
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-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8931002
N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6378231
N-butyl-N'-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 40977078
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989742
N'-[(E)-(4-butoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 21212792
2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5333365

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide (CID 8989325) is N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide is C=CCOc1ccc(/C=N\NC(=O)C(=O)NCCCC)cc1.
What is the InChIKey of N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The InChIKey is DAGIVULHRTUPHQ-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-5-10-17-15(20)16(21)19-18-12-13-6-8-14(9-7-13)22-11-4-2/h4,6-9,12H,2-3,5,10-11H2,1H3,(H,17,20)(H,19,21)/b18-12-.
What are the key properties of N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide has a molecular weight of 303.36 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8989325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).