N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide

C15H21N3O4 — CID 8988888

IUPACN-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(/C=N\NC(=O)C(=O)NCCOC)cc1
InChIInChI=1S/C15H21N3O4/c1-3-9-22-13-6-4-12(5-7-13)11-17-18-15(20)14(19)16-8-10-21-2/h4-7,11H,3,8-10H2,1-2H3,(H,16,19)(H,18,20)/b17-11-
InChIKeyLJRFPRZSCUMREK-BOPFTXTBSA-N
MW307.35 g/mol
LogP0.69
Rot. Bonds8

About N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide

N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide (PubChem CID 8988888) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
PubChem CID8988888
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(/C=N\NC(=O)C(=O)NCCOC)cc1
InChIInChI=1S/C15H21N3O4/c1-3-9-22-13-6-4-12(5-7-13)11-17-18-15(20)14(19)16-8-10-21-2/h4-7,11H,3,8-10H2,1-2H3,(H,16,19)(H,18,20)/b17-11-
InChIKeyLJRFPRZSCUMREK-BOPFTXTBSA-N
XLogP0.69
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-N-(2-methoxyethyl)oxamide
CID 8988980
N'-[(Z)-(4-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8900317
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 6164634
N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988898
N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832328
N-(2-methoxyethyl)-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8930984
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 6368334
N'-[(E)-(4-butoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 21212792
2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989742
N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8896208
N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988925

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide (CID 8988888) is N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide is CCCOc1ccc(/C=N\NC(=O)C(=O)NCCOC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is LJRFPRZSCUMREK-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-3-9-22-13-6-4-12(5-7-13)11-17-18-15(20)14(19)16-8-10-21-2/h4-7,11H,3,8-10H2,1-2H3,(H,16,19)(H,18,20)/b17-11-.
What are the key properties of N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 307.35 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8988888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).